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

C22H15F3N8O2 — CID 134609907

IUPACN-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C22H15F3N8O2/c1-35-18-10-13(11-27-20(18)33-28-8-9-29-33)31-21(34)15-12-30-32(19(15)22(23,24)25)17-6-2-5-16-14(17)4-3-7-26-16/h2-12H,1H3,(H,31,34)
InChIKeyNLPKCERQPYNGSW-UHFFFAOYSA-N
MW480.41 g/mol
LogP3.68
Rot. Bonds5

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

N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609907) has the molecular formula C22H15F3N8O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609907
Molecular FormulaC22H15F3N8O2
Molecular Weight480.41 g/mol
Exact Mass480.13
IUPAC NameN-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C22H15F3N8O2/c1-35-18-10-13(11-27-20(18)33-28-8-9-29-33)31-21(34)15-12-30-32(19(15)22(23,24)25)17-6-2-5-16-14(17)4-3-7-26-16/h2-12H,1H3,(H,31,34)
InChIKeyNLPKCERQPYNGSW-UHFFFAOYSA-N
XLogP3.68
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-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

Related Compounds

US10774086, Example 19
CID 134551554
6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146591926
N-[1-(2-hydroxy-2-methylpropyl)-3-[5-methoxy-2-(trifluoromethyl)pyridin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851039
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-methoxyquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609760
N-(5-methoxy-6-(1H-1,2,3-triazol-1-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609839
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-methoxyquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609877
N-(5-chloro-6-(5-(methoxymethyl)-1H-1,2,3-triazol-1-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609884
N-(5-cyano-6-methoxypyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609911
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-methoxyisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610073
N-(5-chloro-6-(4-(methoxymethyl)-2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610085
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-methoxyisoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610133
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-methoxyisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610228

Frequently Asked Questions

What is the IUPAC name of N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609907) is N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1cc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NLPKCERQPYNGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N8O2/c1-35-18-10-13(11-27-20(18)33-28-8-9-29-33)31-21(34)15-12-30-32(19(15)22(23,24)25)17-6-2-5-16-14(17)4-3-7-26-16/h2-12H,1H3,(H,31,34).
What are the key properties of N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 480.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methoxy-6-(triazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).