3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C23H23N5O — CID 177050395

IUPAC3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESN#Cc1cccc(C(N)=O)c1.c1cc(-c2cc3n(n2)CCCC3)cc(C2CC2)n1
InChIInChI=1S/C15H17N3.C8H6N2O/c1-2-8-18-13(3-1)10-15(17-18)12-6-7-16-14(9-12)11-4-5-11;9-5-6-2-1-3-7(4-6)8(10)11/h6-7,9-11H,1-5,8H2;1-4H,(H2,10,11)
InChIKeyHMCJKKUPRSIPBR-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.82
Rot. Bonds3

About 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 177050395) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID177050395
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESN#Cc1cccc(C(N)=O)c1.c1cc(-c2cc3n(n2)CCCC3)cc(C2CC2)n1
InChIInChI=1S/C15H17N3.C8H6N2O/c1-2-8-18-13(3-1)10-15(17-18)12-6-7-16-14(9-12)11-4-5-11;9-5-6-2-1-3-7(4-6)8(10)11/h6-7,9-11H,1-5,8H2;1-4H,(H2,10,11)
InChIKeyHMCJKKUPRSIPBR-UHFFFAOYSA-N
XLogP3.82
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050089
3-cyanobenzamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroindolizine
CID 177050649
3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
CID 177051419
3-(2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl)benzonitrile
CID 53165148
3-cyano-N-[2-[2-(1,1-difluoroethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177051552
pyrrolo[1,2-b]pyridazine-6-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 177049802
4-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-6-methyl-4-pyridinyl]quinoline-6-carboxamide
CID 171347307
3-cyano-5-fluoro-N-[(4R)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-yl]benzamide
CID 177051690
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 177050471
2-(3-cyanophenyl)-N-(1-cyanopyrrolidin-3-yl)pyridine-4-carboxamide
CID 155229705
3-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 124891483

Frequently Asked Questions

What is the IUPAC name of 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 177050395) is 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is N#Cc1cccc(C(N)=O)c1.c1cc(-c2cc3n(n2)CCCC3)cc(C2CC2)n1.
What is the InChIKey of 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is HMCJKKUPRSIPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3.C8H6N2O/c1-2-8-18-13(3-1)10-15(17-18)12-6-7-16-14(9-12)11-4-5-11;9-5-6-2-1-3-7(4-6)8(10)11/h6-7,9-11H,1-5,8H2;1-4H,(H2,10,11).
What are the key properties of 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 385.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanobenzamide;2-(2-cyclopropyl-4-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 177050395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).