DDR-TRK-1 1mg

CAT: 0628-A12955-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12955-1Size:1 mg

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CAS Number

1934246-19-1

Chemical Information

Ddr-trk-1

CAS Number	1934246-19-1
PubChem CID	121231414
IUPAC Name	(4R)-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
Molecular Formula	C26H23F3N6O
Molecular Weight	492.5
XLogP	4.1
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	36
Formal Charge	0
Complexity	762

SMILES

C[C@H]1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)N4C=C(N=C4)C)C5=CN=CN=C5

InChI

InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1

InChIKey

CMJJZRAAQMUAFH-INIZCTEOSA-N

Chemical Structure

2D Structure

CAS: 1934246-19-1

CID: 121231414

Formula: C26H23F3N6O

MW: 492.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	492.18854386
Monoisotopic Mass	492.18854386
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	762
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DDR-TRK-1 1mg

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