2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile

C26H29N5 — CID 154446585

IUPAC2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C#N)cc(CC)n2C)cc1
InChIInChI=1S/C26H29N5/c1-6-8-23-29-24-17(3)13-18(4)28-26(24)31(23)16-19-9-11-20(12-10-19)25-21(15-27)14-22(7-2)30(25)5/h9-14H,6-8,16H2,1-5H3
InChIKeyQCBFZCVDFLCUER-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.49
Rot. Bonds6

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

2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile (PubChem CID 154446585) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile
PubChem CID154446585
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC Name2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C#N)cc(CC)n2C)cc1
InChIInChI=1S/C26H29N5/c1-6-8-23-29-24-17(3)13-18(4)28-26(24)31(23)16-19-9-11-20(12-10-19)25-21(15-27)14-22(7-2)30(25)5/h9-14H,6-8,16H2,1-5H3
InChIKeyQCBFZCVDFLCUER-UHFFFAOYSA-N
XLogP5.49
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-methylpyrrole-3-carbonitrile
CID 67885969
3-[[4-[5-chloro-1-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
CID 19759365
3-[[4-[1-ethyl-5-methyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-5,7-dimethyl-2-propylimidazo[4,5-b]pyridine
CID 19759431
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
CID 19759460
6-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]-2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-9-carbonitrile
CID 10094349
3-[[4-[1,5-dimethyl-3-(2H-tetrazol-5-yl)pyrrol-2-yl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridine
CID 19759565
4-bromo-2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propylpyrrole-3-carbonitrile
CID 19759536
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-propylaniline
CID 19385717
1-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-3-methylideneindene-2-carboxylic acid
CID 11975313
ethyl 4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-2-methyl-1-oxoisoquinoline-3-carboxylate
CID 11974938
2-(2-cyanophenyl)-5-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]benzonitrile
CID 68741725
4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-N-phenylaniline
CID 23156166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile?
The IUPAC name of 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile (CID 154446585) is 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile?
The canonical SMILES for 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile is CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C#N)cc(CC)n2C)cc1.
What is the InChIKey of 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile?
The InChIKey is QCBFZCVDFLCUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-6-8-23-29-24-17(3)13-18(4)28-26(24)31(23)16-19-9-11-20(12-10-19)25-21(15-27)14-22(7-2)30(25)5/h9-14H,6-8,16H2,1-5H3.
What are the key properties of 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile?
2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile has a molecular weight of 411.55 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,7-dimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-ethyl-1-methylpyrrole-3-carbonitrile is sourced from PubChem (CID 154446585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).