2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide

C14H11BClN7O — CID 144845733

IUPAC2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide
SMILESN#CB1CCn2nc(-c3cc(Cl)c4nncn4c3)c(C(N)=O)c2C1
InChIInChI=1S/C14H11BClN7O/c16-9-3-8(5-22-7-19-20-14(9)22)12-11(13(18)24)10-4-15(6-17)1-2-23(10)21-12/h3,5,7H,1-2,4H2,(H2,18,24)
InChIKeyPWAAXOTWZQRCTC-UHFFFAOYSA-N
MW339.56 g/mol
LogP1.00
Rot. Bonds2

About 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide

2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide (PubChem CID 144845733) has the molecular formula C14H11BClN7O and a molecular weight of 339.56 g/mol. Its IUPAC name is 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide.

Molecular Properties

Compound Name2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide
PubChem CID144845733
Molecular FormulaC14H11BClN7O
Molecular Weight339.56 g/mol
Exact Mass339.08
IUPAC Name2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide
SMILESN#CB1CCn2nc(-c3cc(Cl)c4nncn4c3)c(C(N)=O)c2C1
InChIInChI=1S/C14H11BClN7O/c16-9-3-8(5-22-7-19-20-14(9)22)12-11(13(18)24)10-4-15(6-17)1-2-23(10)21-12/h3,5,7H,1-2,4H2,(H2,18,24)
InChIKeyPWAAXOTWZQRCTC-UHFFFAOYSA-N
XLogP1.00
TPSA114.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide with MolForge

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Related Compounds

5-cyano-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide
CID 144845303
tert-butyl 3-carbamoyl-2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085438
2-(3-chlorophenyl)-5-cyanospiro[4,6-dihydropyrazolo[1,5-a][1,4]azaborinine-7,1'-cyclopropane]-3-carboxamide
CID 144845369
2-(3,5-dichloro-4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118080295
5-amino-2-(3-chloro-4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 144845127
2-(3-chloro-4-fluorophenyl)-5-[[(5-cyano-2-pyridinyl)amino]-hydroxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 126703713
2-(3-chloro-4-fluorophenyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,1'-cyclopropane]-3-carboxamide
CID 118069321
2-(3-chloro-4-fluorophenyl)-5-N-(2,3-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650830
2-(3-chloro-4-fluorophenyl)-5-N-(4-cyano-3-cyclopropylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085690
2-(3-chloro-4-fluorophenyl)-5-[2-(4-fluoro-1-bicyclo[2.2.2]octanyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160506733
5-N-(3-chloro-4-cyanophenyl)-2-(7-chloro-3-methyl-2H-indazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 122650896
2-(3,5-dichloro-4-fluorophenyl)-5-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118085506

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide?
The IUPAC name of 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide (CID 144845733) is 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide.
What is the SMILES notation for 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide?
The canonical SMILES for 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide is N#CB1CCn2nc(-c3cc(Cl)c4nncn4c3)c(C(N)=O)c2C1.
What is the InChIKey of 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide?
The InChIKey is PWAAXOTWZQRCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BClN7O/c16-9-3-8(5-22-7-19-20-14(9)22)12-11(13(18)24)10-4-15(6-17)1-2-23(10)21-12/h3,5,7H,1-2,4H2,(H2,18,24).
What are the key properties of 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide?
2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide has a molecular weight of 339.56 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-cyano-6,7-dihydro-4H-pyrazolo[1,5-a][1,4]azaborinine-3-carboxamide is sourced from PubChem (CID 144845733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).