5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide

C26H26N8O2 — CID 163959012

IUPAC5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnn(C)c2C(O)Nc2ccn3nc(-c4ccccc4)nc3c2)cn1
InChIInChI=1S/C26H26N8O2/c1-17-9-10-18(14-27-17)16-32(2)26(36)21-15-28-33(3)23(21)25(35)29-20-11-12-34-22(13-20)30-24(31-34)19-7-5-4-6-8-19/h4-15,25,29,35H,16H2,1-3H3
InChIKeySFWKKPAVLKMNDZ-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.21
Rot. Bonds7

About 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide

5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide (PubChem CID 163959012) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
PubChem CID163959012
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnn(C)c2C(O)Nc2ccn3nc(-c4ccccc4)nc3c2)cn1
InChIInChI=1S/C26H26N8O2/c1-17-9-10-18(14-27-17)16-32(2)26(36)21-15-28-33(3)23(21)25(35)29-20-11-12-34-22(13-20)30-24(31-34)19-7-5-4-6-8-19/h4-15,25,29,35H,16H2,1-3H3
InChIKeySFWKKPAVLKMNDZ-UHFFFAOYSA-N
XLogP3.21
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-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 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide (CID 163959012) is 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cnn(C)c2C(O)Nc2ccn3nc(-c4ccccc4)nc3c2)cn1.
What is the InChIKey of 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
The InChIKey is SFWKKPAVLKMNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-17-9-10-18(14-27-17)16-32(2)26(36)21-15-28-33(3)23(21)25(35)29-20-11-12-34-22(13-20)30-24(31-34)19-7-5-4-6-8-19/h4-15,25,29,35H,16H2,1-3H3.
What are the key properties of 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide?
5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)amino]methyl]-N,1-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163959012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).