4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile

C25H26BrN5 — CID 19759536

IUPAC4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)c(Br)cn2CCC)cc1
InChIInChI=1S/C25H26BrN5/c1-4-6-22-29-23-17(3)11-12-28-25(23)31(22)15-18-7-9-19(10-8-18)24-20(14-27)21(26)16-30(24)13-5-2/h7-12,16H,4-6,13,15H2,1-3H3
InChIKeyMVMYGTWKRCNBRE-UHFFFAOYSA-N
MW476.42 g/mol
LogP6.25
Rot. Bonds7

About 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile

4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile (PubChem CID 19759536) has the molecular formula C25H26BrN5 and a molecular weight of 476.42 g/mol. Its IUPAC name is 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
PubChem CID19759536
Molecular FormulaC25H26BrN5
Molecular Weight476.42 g/mol
Exact Mass475.14
IUPAC Name4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)c(Br)cn2CCC)cc1
InChIInChI=1S/C25H26BrN5/c1-4-6-22-29-23-17(3)11-12-28-25(23)31(22)15-18-7-9-19(10-8-18)24-20(14-27)21(26)16-30(24)13-5-2/h7-12,16H,4-6,13,15H2,1-3H3
InChIKeyMVMYGTWKRCNBRE-UHFFFAOYSA-N
XLogP6.25
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
FK-739 free acid
CID 9801627
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
FK-739
CID 23668568
1-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile
CID 3159270
L 158338
CID 3036053
4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
CID 717644
7-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 667718

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile?
The IUPAC name of 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile (CID 19759536) is 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile.
What is the SMILES notation for 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile?
The canonical SMILES for 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)c(Br)cn2CCC)cc1.
What is the InChIKey of 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile?
The InChIKey is MVMYGTWKRCNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN5/c1-4-6-22-29-23-17(3)11-12-28-25(23)31(22)15-18-7-9-19(10-8-18)24-20(14-27)21(26)16-30(24)13-5-2/h7-12,16H,4-6,13,15H2,1-3H3.
What are the key properties of 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile?
4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile has a molecular weight of 476.42 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile is sourced from PubChem (CID 19759536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).