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

C22H26N6O — CID 53311226

IUPAC2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCC(C)n1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C22H26N6O/c1-15(2)28-21-20(19(9-10-25-21)26-11-5-8-18(24)14-26)27(22(28)29)13-17-7-4-3-6-16(17)12-23/h3-4,6-7,9-10,15,18H,5,8,11,13-14,24H2,1-2H3/t18-/m1/s1
InChIKeyMQHAWRVUQAHXHW-GOSISDBHSA-N
MW390.49 g/mol
LogP2.63
Rot. Bonds4

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

2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (PubChem CID 53311226) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
PubChem CID53311226
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
SMILESCC(C)n1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C22H26N6O/c1-15(2)28-21-20(19(9-10-25-21)26-11-5-8-18(24)14-26)27(22(28)29)13-17-7-4-3-6-16(17)12-23/h3-4,6-7,9-10,15,18H,5,8,11,13-14,24H2,1-2H3/t18-/m1/s1
InChIKeyMQHAWRVUQAHXHW-GOSISDBHSA-N
XLogP2.63
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.63
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]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile (CID 53311226) is 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is CC(C)n1c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21.
What is the InChIKey of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
The InChIKey is MQHAWRVUQAHXHW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15(2)28-21-20(19(9-10-25-21)26-11-5-8-18(24)14-26)27(22(28)29)13-17-7-4-3-6-16(17)12-23/h3-4,6-7,9-10,15,18H,5,8,11,13-14,24H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile?
2-[[7-[(3R)-3-aminopiperidin-1-yl]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile has a molecular weight of 390.49 g/mol, XLogP of 2.63, 4 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]-2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 53311226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).