3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

C18H17BrN4O — CID 131970625

IUPAC3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)N(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17BrN4O/c1-12(2)23(15-5-3-13(10-20)4-6-15)18(24)14-7-8-22-17(9-14)16(19)11-21-22/h3-9,12,21H,11H2,1-2H3
InChIKeyXKUXAZADBJTTHO-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.18
Rot. Bonds3

About 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 131970625) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID131970625
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(C)N(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17BrN4O/c1-12(2)23(15-5-3-13(10-20)4-6-15)18(24)14-7-8-22-17(9-14)16(19)11-21-22/h3-9,12,21H,11H2,1-2H3
InChIKeyXKUXAZADBJTTHO-UHFFFAOYSA-N
XLogP3.18
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-(2-bromopropanoyl)benzonitrile
CID 22563379
3-[5-(4-cyanophenoxy)pentoxy]-N-phenyl-N-propan-2-ylbenzamide
CID 57300714
3-[[(4-cyanophenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62983203
2-(4-cyano-N-methylanilino)propanoic acid
CID 62638661
2-(4-cyano-N-methylanilino)-N-(2-methylpropyl)propanamide
CID 62983295
N-(4-cyanophenyl)-4-ethylsulfanyl-5-methyl-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
CID 10736297
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
4-[(4-cyano-N-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 133384325
N-[(4-cyanophenyl)methyl]-2-methyl-1,3-dioxo-N-propan-2-ylisoindole-5-carboxamide
CID 86927009
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
4-[(1S)-1-bromoethyl]sulfonylbenzonitrile
CID 69495064

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 131970625) is 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is CC(C)N(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cc1.
What is the InChIKey of 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is XKUXAZADBJTTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-12(2)23(15-5-3-13(10-20)4-6-15)18(24)14-7-8-22-17(9-14)16(19)11-21-22/h3-9,12,21H,11H2,1-2H3.
What are the key properties of 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 385.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-cyanophenyl)-N-propan-2-yl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 131970625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).