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BMS582949

CAT: 0127-BUP02708-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02708-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
623152-17-0
Synonyms
BMS 582949, PS540446, BMS-582949
Purity
=95%
Smiles
N(C=1C=2N(C=C(C(NCCC)=O)C2C)N=CN1)C3=CC(C(NC4CC4)=O)=CC=C3C

Chemical Information

Bms-582949

BMS-582949 has been investigated for the treatment of Psoriasis.

CAS Number623152-17-0
PubChem CID10409068
IUPAC Name4-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
Molecular FormulaC22H26N6O2
Molecular Weight406.5
XLogP3
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity627
SMILES
CCCNC(=O)C1=CN2C(=C1C)C(=NC=N2)NC3=C(C=CC(=C3)C(=O)NC4CC4)C
InChI
InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)
InChIKey
GDTQLZHHDRRBEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-582949
CAS: 623152-17-0
CID: 10409068
Formula: C22H26N6O2
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass406.21172409
Monoisotopic Mass406.21172409
Topological Polar Surface Area100 Ų
Heavy Atom Count30
Formal Charge0
Complexity627
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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CatalogName
T6789-01BMS582949
555138BMS582949 free base

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