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

C25H27N5 — CID 19759460

IUPAC2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)ccn2C(C)C)cc1
InChIInChI=1S/C25H27N5/c1-5-6-22-28-23-18(4)11-13-27-25(23)30(22)16-19-7-9-20(10-8-19)24-21(15-26)12-14-29(24)17(2)3/h7-14,17H,5-6,16H2,1-4H3
InChIKeyLPFSJXZNQDONHL-UHFFFAOYSA-N
MW397.53 g/mol
LogP5.66
Rot. Bonds6

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

2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile (PubChem CID 19759460) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
PubChem CID19759460
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile
SMILESCCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)ccn2C(C)C)cc1
InChIInChI=1S/C25H27N5/c1-5-6-22-28-23-18(4)11-13-27-25(23)30(22)16-19-7-9-20(10-8-19)24-21(15-26)12-14-29(24)17(2)3/h7-14,17H,5-6,16H2,1-4H3
InChIKeyLPFSJXZNQDONHL-UHFFFAOYSA-N
XLogP5.66
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile?
The IUPAC name of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile (CID 19759460) is 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile?
The canonical SMILES for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile is CCCc1nc2c(C)ccnc2n1Cc1ccc(-c2c(C#N)ccn2C(C)C)cc1.
What is the InChIKey of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile?
The InChIKey is LPFSJXZNQDONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-5-6-22-28-23-18(4)11-13-27-25(23)30(22)16-19-7-9-20(10-8-19)24-21(15-26)12-14-29(24)17(2)3/h7-14,17H,5-6,16H2,1-4H3.
What are the key properties of 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile?
2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile has a molecular weight of 397.53 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-1-propan-2-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 19759460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).