3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

C18H13N5O3 — CID 139932468

IUPAC3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccncc2)c2cccnc2n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N5O3/c24-18-21(12-13-7-10-19-11-8-13)16-2-1-9-20-17(16)22(18)14-3-5-15(6-4-14)23(25)26/h1-11H,12H2
InChIKeyJHFMDJCZPWGCSC-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.54
Rot. Bonds4

About 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139932468) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139932468
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccncc2)c2cccnc2n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N5O3/c24-18-21(12-13-7-10-19-11-8-13)16-2-1-9-20-17(16)22(18)14-3-5-15(6-4-14)23(25)26/h1-11H,12H2
InChIKeyJHFMDJCZPWGCSC-UHFFFAOYSA-N
XLogP2.54
TPSA95.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932433
1-[(3-nitrophenyl)methyl]-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 16952061
N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
CID 139932436
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-nitrophenyl)imidazo[4,5-b]pyridin-2-one
CID 139932396
3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 139932464
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172
3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
CID 139932415
3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246393
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
1-[(4-nitrophenyl)methyl]-3-(2-phenylmethoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 139750402
1-[(4-nitrophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 46247349
4-nitropyridine;hydrate
CID 132647818

Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 139932468) is 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is O=c1n(Cc2ccncc2)c2cccnc2n1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is JHFMDJCZPWGCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-18-21(12-13-7-10-19-11-8-13)16-2-1-9-20-17(16)22(18)14-3-5-15(6-4-14)23(25)26/h1-11H,12H2.
What are the key properties of 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 347.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139932468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).