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Unc2400

CAT: 0127-OR1067310-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1067310-02Size:50 mg
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CAS Number
1433200-49-7
Purity
98%
Smiles
O=C(C1=CC(C2=CC=C(N3CCN(C(C)C)CC3)N=C2)=CC4=C1C=NN4C(C)C)N(CC5=C(CCC)C=C(C)N(C)C5=O)C

Chemical Information

N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CAS Number1433200-49-7
PubChem CID91691116
IUPAC NameN-[(1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-propan-2-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
Molecular FormulaC35H47N7O2
Molecular Weight597.8
XLogP4.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1090
SMILES
CCCC1=C(C(=O)N(C(=C1)C)C)CN(C)C(=O)C2=C3C=NN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C(C)C)C(C)C
InChI
InChI=1S/C35H47N7O2/c1-9-10-26-17-25(6)39(8)35(44)31(26)22-38(7)34(43)29-18-28(19-32-30(29)21-37-42(32)24(4)5)27-11-12-33(36-20-27)41-15-13-40(14-16-41)23(2)3/h11-12,17-21,23-24H,9-10,13-16,22H2,1-8H3
InChIKey
IFSQHIRDVVFJSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(1,2-Dihydro-1,6-dimethyl-2-oxo-4-propyl-3-pyridinyl)methyl]-N-methyl-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
CAS: 1433200-49-7
CID: 91691116
Formula: C35H47N7O2
MW: 597.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass597.37912377
Monoisotopic Mass597.37912377
Topological Polar Surface Area77.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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