3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

C22H20N6O — CID 91889052

IUPAC3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H20N6O/c29-22(19-14-18(24-25-19)15-6-2-1-3-7-15)23-17-11-9-16(10-12-17)21-27-26-20-8-4-5-13-28(20)21/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,23,29)(H,24,25)
InChIKeyMTRDPNRGFDUOFA-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.92
Rot. Bonds4

About 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 91889052) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID91889052
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C22H20N6O/c29-22(19-14-18(24-25-19)15-6-2-1-3-7-15)23-17-11-9-16(10-12-17)21-27-26-20-8-4-5-13-28(20)21/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,23,29)(H,24,25)
InChIKeyMTRDPNRGFDUOFA-UHFFFAOYSA-N
XLogP3.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 91889052) is 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MTRDPNRGFDUOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(19-14-18(24-25-19)15-6-2-1-3-7-15)23-17-11-9-16(10-12-17)21-27-26-20-8-4-5-13-28(20)21/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,23,29)(H,24,25).
What are the key properties of 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91889052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).