4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one

C25H27N5O2 — CID 170639748

IUPAC4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESCC1(C)CNCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C25H27N5O2/c1-25(2)14-18(15-27-16-25)29-21-12-13-28-23(26)22(21)30(24(29)31)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-13,18,27H,14-16H2,1-2H3,(H2,26,28)
InChIKeyFZGBREVBNFUVIS-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.12
Rot. Bonds4

About 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one

4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one (PubChem CID 170639748) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
PubChem CID170639748
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
SMILESCC1(C)CNCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1
InChIInChI=1S/C25H27N5O2/c1-25(2)14-18(15-27-16-25)29-21-12-13-28-23(26)22(21)30(24(29)31)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-13,18,27H,14-16H2,1-2H3,(H2,26,28)
InChIKeyFZGBREVBNFUVIS-UHFFFAOYSA-N
XLogP4.12
TPSA87.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.12
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-phenylmethoxyphenyl)-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 141449411
(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798347
4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 168956416
4-amino-3-[4-[(5-bromo-2-pyridinyl)oxy]phenyl]-1-[(3R)-piperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 171749471
3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174910571
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-(1-methylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 145271415
3-[4-amino-3-[4-[4-(dimethylamino)phenoxy]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174798356
3-[4-amino-3-[4-(4-cyanophenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
CID 174911224
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
6-amino-9-(1-aminopiperidin-4-yl)-7-(4-phenoxyphenyl)purin-8-one
CID 130300783

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one (CID 170639748) is 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one is CC1(C)CNCC(n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1.
What is the InChIKey of 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is FZGBREVBNFUVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-25(2)14-18(15-27-16-25)29-21-12-13-28-23(26)22(21)30(24(29)31)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h3-13,18,27H,14-16H2,1-2H3,(H2,26,28).
What are the key properties of 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one?
4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 429.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5,5-dimethylpiperidin-3-yl)-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 170639748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).