3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H18F3N7O2 — CID 146381524

IUPAC3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C17H18F3N7O2/c1-10(2)27-9-21-24-14(27)12-5-4-6-13(22-12)23-15(28)11-7-26(8-17(18,19)20)25-16(11)29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28)
InChIKeyMMWXADQPWLFZFH-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.94
Rot. Bonds6

About 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 146381524) has the molecular formula C17H18F3N7O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID146381524
Molecular FormulaC17H18F3N7O2
Molecular Weight409.37 g/mol
Exact Mass409.15
IUPAC Name3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
InChIInChI=1S/C17H18F3N7O2/c1-10(2)27-9-21-24-14(27)12-5-4-6-13(22-12)23-15(28)11-7-26(8-17(18,19)20)25-16(11)29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28)
InChIKeyMMWXADQPWLFZFH-UHFFFAOYSA-N
XLogP2.94
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2R)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381743
3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146381605
N-[6-[4-[(2S)-1,1-difluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381600
1-(5-bromo-3-pyridinyl)-3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146382061
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
3-(methoxymethyl)-1-methyl-N-[6-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
CID 146381291
5-chloro-2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;5-chloro-2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 159133483
2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 135348193
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-pyridine-3-carboxamide
CID 153384507
2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 156635533
2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 146411886

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 146381524) is 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.
What is the InChIKey of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is MMWXADQPWLFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2/c1-10(2)27-9-21-24-14(27)12-5-4-6-13(22-12)23-15(28)11-7-26(8-17(18,19)20)25-16(11)29-3/h4-7,9-10H,8H2,1-3H3,(H,22,23,28).
What are the key properties of 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146381524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).