4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

C24H25N5O2 — CID 141449411

IUPAC4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(OCc3ccccc3)cc1)c(=O)n2[C@@H]1CCCNC1
InChIInChI=1S/C24H25N5O2/c25-23-22-21(12-14-27-23)28(19-7-4-13-26-15-19)24(30)29(22)18-8-10-20(11-9-18)31-16-17-5-2-1-3-6-17/h1-3,5-6,8-12,14,19,26H,4,7,13,15-16H2,(H2,25,27)/t19-/m1/s1
InChIKeyAMCZXUHYOHZZLX-LJQANCHMSA-N
MW415.50 g/mol
LogP3.27
Rot. Bonds5

About 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (PubChem CID 141449411) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
PubChem CID141449411
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
SMILESNc1nccc2c1n(-c1ccc(OCc3ccccc3)cc1)c(=O)n2[C@@H]1CCCNC1
InChIInChI=1S/C24H25N5O2/c25-23-22-21(12-14-27-23)28(19-7-4-13-26-15-19)24(30)29(22)18-8-10-20(11-9-18)31-16-17-5-2-1-3-6-17/h1-3,5-6,8-12,14,19,26H,4,7,13,15-16H2,(H2,25,27)/t19-/m1/s1
InChIKeyAMCZXUHYOHZZLX-LJQANCHMSA-N
XLogP3.27
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-3-(3-methyl-4-phenoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 171749481
4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 171749471
4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 170639748
4-amino-1-[(3R)-1-[(2S)-2,3-dihydroxypropanoyl]piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 164557915
4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 168956416
3-[4-amino-3-[4-(4-cyanophenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174911224
3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910571
(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798347
3-[4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174798356
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-3,3,5,5-tetramethylhexanenitrile
CID 157070187
tert-butyl (3R)-3-[4-amino-3-(4-hydroxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141449413
(3R)-3-[4-amino-3-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910588

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one (CID 141449411) is 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is Nc1nccc2c1n(-c1ccc(OCc3ccccc3)cc1)c(=O)n2[C@@H]1CCCNC1.
What is the InChIKey of 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is AMCZXUHYOHZZLX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-23-22-21(12-14-27-23)28(19-7-4-13-26-15-19)24(30)29(22)18-8-10-20(11-9-18)31-16-17-5-2-1-3-6-17/h1-3,5-6,8-12,14,19,26H,4,7,13,15-16H2,(H2,25,27)/t19-/m1/s1.
What are the key properties of 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one?
4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 415.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 141449411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).