2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

C20H22N6O — CID 53311227

IUPAC2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C20H22N6O/c1-24-19-18(17(8-9-23-19)25-10-4-7-16(22)13-25)26(20(24)27)12-15-6-3-2-5-14(15)11-21/h2-3,5-6,8-9,16H,4,7,10,12-13,22H2,1H3/t16-/m1/s1
InChIKeyYASROUSXZWELKY-MRXNPFEDSA-N
MW362.44 g/mol
LogP1.58
Rot. Bonds3

About 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile

2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (PubChem CID 53311227) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
PubChem CID53311227
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C20H22N6O/c1-24-19-18(17(8-9-23-19)25-10-4-7-16(22)13-25)26(20(24)27)12-15-6-3-2-5-14(15)11-21/h2-3,5-6,8-9,16H,4,7,10,12-13,22H2,1H3/t16-/m1/s1
InChIKeyYASROUSXZWELKY-MRXNPFEDSA-N
XLogP1.58
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (CID 53311227) is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is Cn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21.
What is the InChIKey of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is YASROUSXZWELKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24-19-18(17(8-9-23-19)25-10-4-7-16(22)13-25)26(20(24)27)12-15-6-3-2-5-14(15)11-21/h2-3,5-6,8-9,16H,4,7,10,12-13,22H2,1H3/t16-/m1/s1.
What are the key properties of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 362.44 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 53311227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).