3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide

C18H13N5O — CID 126536045

IUPAC3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccc3[nH]ncc3n2)c1-c1cccnc1
InChIInChI=1S/C18H13N5O/c19-18(24)13-5-1-4-12(17(13)11-3-2-8-20-9-11)14-6-7-15-16(22-14)10-21-23-15/h1-10H,(H2,19,24)(H,21,23)
InChIKeyNVMQGFFJWIUJRA-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.79
Rot. Bonds3

About 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide

3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide (PubChem CID 126536045) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide
PubChem CID126536045
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccc3[nH]ncc3n2)c1-c1cccnc1
InChIInChI=1S/C18H13N5O/c19-18(24)13-5-1-4-12(17(13)11-3-2-8-20-9-11)14-6-7-15-16(22-14)10-21-23-15/h1-10H,(H2,19,24)(H,21,23)
InChIKeyNVMQGFFJWIUJRA-UHFFFAOYSA-N
XLogP2.79
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
CID 174660376
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 139933693
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
2-pyridin-3-yl-1H-indole-4-carboxamide
CID 22014956
2-pyridin-2-yl-3-pyridin-3-ylbenzoic acid
CID 68921390
N-[(2R)-1-amino-1-oxobutan-2-yl]-2-hydroxy-3-pyridin-3-ylbenzamide
CID 141112111
2,6-dipyridin-3-ylpyridine
CID 13349632
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 86676680
2-fluoro-4-methyl-3-pyridin-3-ylbenzamide
CID 155144897
5-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluorene-4-carboxamide
CID 91268405
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide?
The IUPAC name of 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide (CID 126536045) is 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide is NC(=O)c1cccc(-c2ccc3[nH]ncc3n2)c1-c1cccnc1.
What is the InChIKey of 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide?
The InChIKey is NVMQGFFJWIUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-18(24)13-5-1-4-12(17(13)11-3-2-8-20-9-11)14-6-7-15-16(22-14)10-21-23-15/h1-10H,(H2,19,24)(H,21,23).
What are the key properties of 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide?
3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide has a molecular weight of 315.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazolo[4,5-b]pyridin-5-yl)-2-pyridin-3-ylbenzamide is sourced from PubChem (CID 126536045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).