3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C20H17N5O — CID 56731415

IUPAC3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccncc2)c1
InChIInChI=1S/C20H17N5O/c21-12-14-3-1-4-15(11-14)20(26)24-18-5-2-6-19-17(18)13-23-25(19)16-7-9-22-10-8-16/h1,3-4,7-11,13,18H,2,5-6H2,(H,24,26)
InChIKeyJQLUPMGRRACVDJ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.95
Rot. Bonds3

About 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 56731415) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID56731415
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccncc2)c1
InChIInChI=1S/C20H17N5O/c21-12-14-3-1-4-15(11-14)20(26)24-18-5-2-6-19-17(18)13-23-25(19)16-7-9-22-10-8-16/h1,3-4,7-11,13,18H,2,5-6H2,(H,24,26)
InChIKeyJQLUPMGRRACVDJ-UHFFFAOYSA-N
XLogP2.95
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 56731415) is 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is N#Cc1cccc(C(=O)NC2CCCc3c2cnn3-c2ccncc2)c1.
What is the InChIKey of 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is JQLUPMGRRACVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-12-14-3-1-4-15(11-14)20(26)24-18-5-2-6-19-17(18)13-23-25(19)16-7-9-22-10-8-16/h1,3-4,7-11,13,18H,2,5-6H2,(H,24,26).
What are the key properties of 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 56731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).