N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H13F3N10O — CID 134609741

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(C#N)c3)c2C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H13F3N10O/c1-32-16-5-3-2-4-14(16)19(31-32)33-17(21(22,23)24)15(11-29-33)20(35)30-13-8-12(9-25)18(26-10-13)34-27-6-7-28-34/h2-8,10-11H,1H3,(H,30,35)
InChIKeyJZICBMPCMDXQMZ-UHFFFAOYSA-N
MW478.40 g/mol
LogP2.88
Rot. Bonds4

About N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609741) has the molecular formula C21H13F3N10O and a molecular weight of 478.40 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609741
Molecular FormulaC21H13F3N10O
Molecular Weight478.40 g/mol
Exact Mass478.12
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1nc(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(C#N)c3)c2C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H13F3N10O/c1-32-16-5-3-2-4-14(16)19(31-32)33-17(21(22,23)24)15(11-29-33)20(35)30-13-8-12(9-25)18(26-10-13)34-27-6-7-28-34/h2-8,10-11H,1H3,(H,30,35)
InChIKeyJZICBMPCMDXQMZ-UHFFFAOYSA-N
XLogP2.88
TPSA132.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)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 N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609741) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cn1nc(-n2ncc(C(=O)Nc3cnc(-n4nccn4)c(C#N)c3)c2C(F)(F)F)c2ccccc21.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JZICBMPCMDXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N10O/c1-32-16-5-3-2-4-14(16)19(31-32)33-17(21(22,23)24)15(11-29-33)20(35)30-13-8-12(9-25)18(26-10-13)34-27-6-7-28-34/h2-8,10-11H,1H3,(H,30,35).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 478.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-(1-methylindazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).