2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile

C24H22N4O — CID 23245548

IUPAC2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
SMILESCOc1ccc(-c2nc3c(c(N4CCCC4)c2C#N)c2ccccc2n3C)cc1
InChIInChI=1S/C24H22N4O/c1-27-20-8-4-3-7-18(20)21-23(28-13-5-6-14-28)19(15-25)22(26-24(21)27)16-9-11-17(29-2)12-10-16/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyXZDWTAGZFXSUOI-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.87
Rot. Bonds3

About 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile

2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile (PubChem CID 23245548) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
PubChem CID23245548
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile
SMILESCOc1ccc(-c2nc3c(c(N4CCCC4)c2C#N)c2ccccc2n3C)cc1
InChIInChI=1S/C24H22N4O/c1-27-20-8-4-3-7-18(20)21-23(28-13-5-6-14-28)19(15-25)22(26-24(21)27)16-9-11-17(29-2)12-10-16/h3-4,7-12H,5-6,13-14H2,1-2H3
InChIKeyXZDWTAGZFXSUOI-UHFFFAOYSA-N
XLogP4.87
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carbonitrile
CID 58799197
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
6-(4-methoxyphenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
CID 3071250
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930371
2-(methoxymethyl)-9-methyl-4-methylsulfanylpyrido[2,3-b]indole-3-carbonitrile
CID 23245545
6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-methoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 137178260
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
3-tert-butyl-5-(4-methoxyphenyl)pyrrolo[2,3-c]isoquinoline-1-carbonitrile
CID 122380227
1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile
CID 22689252
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile (CID 23245548) is 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile is COc1ccc(-c2nc3c(c(N4CCCC4)c2C#N)c2ccccc2n3C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile?
The InChIKey is XZDWTAGZFXSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-27-20-8-4-3-7-18(20)21-23(28-13-5-6-14-28)19(15-25)22(26-24(21)27)16-9-11-17(29-2)12-10-16/h3-4,7-12H,5-6,13-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile?
2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile has a molecular weight of 382.47 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-9-methyl-4-pyrrolidin-1-ylpyrido[2,3-b]indole-3-carbonitrile is sourced from PubChem (CID 23245548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).