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

C20H25N5O — CID 71000813

IUPAC7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1cccc(Cn2c(=O)n(C)c3nccc(N4CCC[C@@H](N)C4)c32)c1
InChIInChI=1S/C20H25N5O/c1-14-5-3-6-15(11-14)12-25-18-17(24-10-4-7-16(21)13-24)8-9-22-19(18)23(2)20(25)26/h3,5-6,8-9,11,16H,4,7,10,12-13,21H2,1-2H3/t16-/m1/s1
InChIKeyHOXSYPDZKXEXSP-MRXNPFEDSA-N
MW351.45 g/mol
LogP2.02
Rot. Bonds3

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

7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 71000813) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
PubChem CID71000813
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCc1cccc(Cn2c(=O)n(C)c3nccc(N4CCC[C@@H](N)C4)c32)c1
InChIInChI=1S/C20H25N5O/c1-14-5-3-6-15(11-14)12-25-18-17(24-10-4-7-16(21)13-24)8-9-22-19(18)23(2)20(25)26/h3,5-6,8-9,11,16H,4,7,10,12-13,21H2,1-2H3/t16-/m1/s1
InChIKeyHOXSYPDZKXEXSP-MRXNPFEDSA-N
XLogP2.02
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 70975727
7-[(3R)-3-aminopiperidin-1-yl]-5-ethyl-3-methyl-1-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 135161427
8-(3-aminopiperidin-1-yl)-2-(benzylamino)-1-methyl-7-[(3-methylphenyl)methyl]purin-6-one
CID 68858843
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53312325
tert-butyl N-[(3R)-1-[1-[(4-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
CID 70975625
8-(azepan-1-yl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 983107
2-[[7-(3-aminopiperidin-1-yl)-5-(dimethylamino)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 70975546
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 118712519
1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
CID 123817387
2-[[7-(3-aminopiperidin-1-yl)-3-methyl-2-oxo-5-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 77473662
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one (CID 71000813) is 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one is Cc1cccc(Cn2c(=O)n(C)c3nccc(N4CCC[C@@H](N)C4)c32)c1.
What is the InChIKey of 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is HOXSYPDZKXEXSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-5-3-6-15(11-14)12-25-18-17(24-10-4-7-16(21)13-24)8-9-22-19(18)23(2)20(25)26/h3,5-6,8-9,11,16H,4,7,10,12-13,21H2,1-2H3/t16-/m1/s1.
What are the key properties of 7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one?
7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.02, 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]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71000813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).