3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid

C23H22N6O4 — CID 174910571

IUPAC3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESNc1nccc2c1n(-c1ccc(Oc3cccnc3)cc1)c(=O)n2C1CCCN(C(=O)O)C1
InChIInChI=1S/C23H22N6O4/c24-21-20-19(9-11-26-21)28(16-3-2-12-27(14-16)23(31)32)22(30)29(20)15-5-7-17(8-6-15)33-18-4-1-10-25-13-18/h1,4-11,13,16H,2-3,12,14H2,(H2,24,26)(H,31,32)
InChIKeyMXJGSGDDJYNMHN-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.27
Rot. Bonds4

About 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid

3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid (PubChem CID 174910571) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
PubChem CID174910571
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid
SMILESNc1nccc2c1n(-c1ccc(Oc3cccnc3)cc1)c(=O)n2C1CCCN(C(=O)O)C1
InChIInChI=1S/C23H22N6O4/c24-21-20-19(9-11-26-21)28(16-3-2-12-27(14-16)23(31)32)22(30)29(20)15-5-7-17(8-6-15)33-18-4-1-10-25-13-18/h1,4-11,13,16H,2-3,12,14H2,(H2,24,26)(H,31,32)
InChIKeyMXJGSGDDJYNMHN-UHFFFAOYSA-N
XLogP3.27
TPSA128.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
(3R)-3-[4-amino-3-[4-(4-methoxyphenoxy)phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]pyrrolidine-1-carboxylic acid
CID 174798347
(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
4-amino-1-[(3R)-1-(3-chloropropanoyl)piperidin-3-yl]-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 168956416
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-3-[4-[4-(dimethylamino)phenoxy]phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]imidazo[4,5-c]pyridin-2-one
CID 126700274
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
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-4,4-dimethyl-5-(4-methylpiperazin-1-yl)-5-oxopent-2-enenitrile
CID 140876731
2-[(3R)-3-[4-amino-2-oxo-3-(4-phenoxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carbonyl]-3-[(1R)-1-oxo-2H-thiopyran-4-yl]prop-2-enenitrile
CID 175559202
4-amino-1-(1-methylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)imidazo[4,5-c]pyridin-2-one
CID 145271415
tert-butyl (3R)-3-[4-amino-3-(4-hydroxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141449413

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid (CID 174910571) is 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid is Nc1nccc2c1n(-c1ccc(Oc3cccnc3)cc1)c(=O)n2C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is MXJGSGDDJYNMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c24-21-20-19(9-11-26-21)28(16-3-2-12-27(14-16)23(31)32)22(30)29(20)15-5-7-17(8-6-15)33-18-4-1-10-25-13-18/h1,4-11,13,16H,2-3,12,14H2,(H2,24,26)(H,31,32).
What are the key properties of 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid?
3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 446.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-oxo-3-(4-pyridin-3-yloxyphenyl)imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174910571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).