7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one

C19H22ClN5O — CID 53311223

IUPAC7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C19H22ClN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3/t14-/m1/s1
InChIKeyPWZDGWJJGOKLAW-CQSZACIVSA-N
MW371.87 g/mol
LogP2.36
Rot. Bonds3

About 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one

7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 53311223) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID53311223
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](N)C3)ccnc21
InChIInChI=1S/C19H22ClN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3/t14-/m1/s1
InChIKeyPWZDGWJJGOKLAW-CQSZACIVSA-N
XLogP2.36
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one (CID 53311223) is 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](N)C3)ccnc21.
What is the InChIKey of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is PWZDGWJJGOKLAW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-23-18-17(16(8-9-22-18)24-10-4-6-14(21)12-24)25(19(23)26)11-13-5-2-3-7-15(13)20/h2-3,5,7-9,14H,4,6,10-12,21H2,1H3/t14-/m1/s1.
What are the key properties of 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one?
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 371.87 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 53311223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).