N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide

C17H12N8O — CID 175708464

IUPACN-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESN#CCNC(=O)c1cccnc1-n1cc(-c2ccnc3nc[nH]c23)cn1
InChIInChI=1S/C17H12N8O/c18-4-7-21-17(26)13-2-1-5-20-16(13)25-9-11(8-24-25)12-3-6-19-15-14(12)22-10-23-15/h1-3,5-6,8-10H,7H2,(H,21,26)(H,19,22,23)
InChIKeyVZOBUWURQLTENO-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.46
Rot. Bonds4

About N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide

N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 175708464) has the molecular formula C17H12N8O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID175708464
Molecular FormulaC17H12N8O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC NameN-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESN#CCNC(=O)c1cccnc1-n1cc(-c2ccnc3nc[nH]c23)cn1
InChIInChI=1S/C17H12N8O/c18-4-7-21-17(26)13-2-1-5-20-16(13)25-9-11(8-24-25)12-3-6-19-15-14(12)22-10-23-15/h1-3,5-6,8-10H,7H2,(H,21,26)(H,19,22,23)
InChIKeyVZOBUWURQLTENO-UHFFFAOYSA-N
XLogP1.46
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide (CID 175708464) is N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide is N#CCNC(=O)c1cccnc1-n1cc(-c2ccnc3nc[nH]c23)cn1.
What is the InChIKey of N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is VZOBUWURQLTENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8O/c18-4-7-21-17(26)13-2-1-5-20-16(13)25-9-11(8-24-25)12-3-6-19-15-14(12)22-10-23-15/h1-3,5-6,8-10H,7H2,(H,21,26)(H,19,22,23).
What are the key properties of N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide?
N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175708464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).