2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile

C27H27N5 — CID 10364891

IUPAC2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1
InChIInChI=1S/C27H27N5/c1-4-25-30-26-18(2)14-19(3)29-27(26)32(25)17-20-10-11-23-22(15-20)12-13-31(23)24(16-28)21-8-6-5-7-9-21/h5-11,14-15,24H,4,12-13,17H2,1-3H3
InChIKeySVUMTANOKHEFLH-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.29
Rot. Bonds5

About 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile

2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile (PubChem CID 10364891) has the molecular formula C27H27N5 and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile
PubChem CID10364891
Molecular FormulaC27H27N5
Molecular Weight421.55 g/mol
Exact Mass421.23
IUPAC Name2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1
InChIInChI=1S/C27H27N5/c1-4-25-30-26-18(2)14-19(3)29-27(26)32(25)17-20-10-11-23-22(15-20)12-13-31(23)24(16-28)21-8-6-5-7-9-21/h5-11,14-15,24H,4,12-13,17H2,1-3H3
InChIKeySVUMTANOKHEFLH-UHFFFAOYSA-N
XLogP5.29
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile (CID 10364891) is 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile is CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(C#N)c1ccccc1.
What is the InChIKey of 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile?
The InChIKey is SVUMTANOKHEFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5/c1-4-25-30-26-18(2)14-19(3)29-27(26)32(25)17-20-10-11-23-22(15-20)12-13-31(23)24(16-28)21-8-6-5-7-9-21/h5-11,14-15,24H,4,12-13,17H2,1-3H3.
What are the key properties of 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile?
2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile has a molecular weight of 421.55 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,3-dihydroindol-1-yl]-2-phenylacetonitrile is sourced from PubChem (CID 10364891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).