3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

C18H16BrN5O — CID 131970439

IUPAC3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESN#Cc1ccc(N(C(=O)C2=CC3=C(Br)CNN3C=C2)C2CCC2)nc1
InChIInChI=1S/C18H16BrN5O/c19-15-11-22-23-7-6-13(8-16(15)23)18(25)24(14-2-1-3-14)17-5-4-12(9-20)10-21-17/h4-8,10,14,22H,1-3,11H2
InChIKeyMFOBSNZJEFBHKT-UHFFFAOYSA-N
MW398.26 g/mol
LogP2.72
Rot. Bonds3

About 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 131970439) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID131970439
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESN#Cc1ccc(N(C(=O)C2=CC3=C(Br)CNN3C=C2)C2CCC2)nc1
InChIInChI=1S/C18H16BrN5O/c19-15-11-22-23-7-6-13(8-16(15)23)18(25)24(14-2-1-3-14)17-5-4-12(9-20)10-21-17/h4-8,10,14,22H,1-3,11H2
InChIKeyMFOBSNZJEFBHKT-UHFFFAOYSA-N
XLogP2.72
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 131970574
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
6-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 63719374
N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)-cyclopropylamino]pyrrolidine-1-carboxylate
CID 66766463
5-cyano-N-cyclohexyl-2-methyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 154735869
6-(3-piperidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 63717900
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 131970439) is 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is N#Cc1ccc(N(C(=O)C2=CC3=C(Br)CNN3C=C2)C2CCC2)nc1.
What is the InChIKey of 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is MFOBSNZJEFBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c19-15-11-22-23-7-6-13(8-16(15)23)18(25)24(14-2-1-3-14)17-5-4-12(9-20)10-21-17/h4-8,10,14,22H,1-3,11H2.
What are the key properties of 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 131970439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).