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

C18H19F3N6O2 — CID 146381605

IUPAC3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C18H19F3N6O2/c1-11(2)27-10-22-7-14(27)13-5-4-6-15(23-13)24-16(28)12-8-26(9-18(19,20)21)25-17(12)29-3/h4-8,10-11H,9H2,1-3H3,(H,23,24,28)
InChIKeyDKOUKLAZGLYFDX-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.55
Rot. Bonds6

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

3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 146381605) has the molecular formula C18H19F3N6O2 and a molecular weight of 408.38 g/mol. Its IUPAC name is 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID146381605
Molecular FormulaC18H19F3N6O2
Molecular Weight408.38 g/mol
Exact Mass408.15
IUPAC Name3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCOc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C18H19F3N6O2/c1-11(2)27-10-22-7-14(27)13-5-4-6-15(23-13)24-16(28)12-8-26(9-18(19,20)21)25-17(12)29-3/h4-8,10-11H,9H2,1-3H3,(H,23,24,28)
InChIKeyDKOUKLAZGLYFDX-UHFFFAOYSA-N
XLogP3.55
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
N-[6-(hydrazinecarbonyl)-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381550
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
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
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
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyrimidin-5-ylbenzene-1,3-dicarboxamide
CID 135347726
3-methoxy-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-2-pyridinyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 169493784
3-methoxy-N-[6-[5-methyl-4-(1-methylcyclopropyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-pyrazin-2-ylpyrazole-4-carboxamide
CID 164899747

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 146381605) is 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1.
What is the InChIKey of 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is DKOUKLAZGLYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2/c1-11(2)27-10-22-7-14(27)13-5-4-6-15(23-13)24-16(28)12-8-26(9-18(19,20)21)25-17(12)29-3/h4-8,10-11H,9H2,1-3H3,(H,23,24,28).
What are the key properties of 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146381605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).