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

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

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Related Compounds

3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-propylurea
CID 155520181
3-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-1-methyl-1-(2-methylpropyl)urea
CID 155531899
6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-7H-purin-8-one
CID 9819683
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
6-Amino-2-(butylamino)-9-((6-methylpyridin-3-yl)methyl)-7,9-dihydro-8H-purin-8-one
CID 10359083
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-ethyl-phenyl)-amide
CID 21037634
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-propyl-phenyl)-amide
CID 21037645
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-butyl-phenyl)-amide
CID 21037673
N-(2,4-dichlorobenzyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 24160013
6-amino-2-(butylamino)-9-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25070826
6-amino-2-(butylamino)-9-[(6-piperazin-1-yl-3-pyridinyl)methyl]-7H-purin-8-one
CID 25070827

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).