3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C20H18F2N8O — CID 146381547

IUPAC3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cn(-c3cccnc3)nc2C(F)F)n1
InChIInChI=1S/C20H18F2N8O/c1-12(2)29-11-24-27-19(29)15-6-3-7-16(25-15)26-20(31)14-10-30(28-17(14)18(21)22)13-5-4-8-23-9-13/h3-12,18H,1-2H3,(H,25,26,31)
InChIKeyUYSXHVJCOSQKFY-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.69
Rot. Bonds6

About 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide

3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 146381547) has the molecular formula C20H18F2N8O and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID146381547
Molecular FormulaC20H18F2N8O
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cn(-c3cccnc3)nc2C(F)F)n1
InChIInChI=1S/C20H18F2N8O/c1-12(2)29-11-24-27-19(29)15-6-3-7-16(25-15)26-20(31)14-10-30(28-17(14)18(21)22)13-5-4-8-23-9-13/h3-12,18H,1-2H3,(H,25,26,31)
InChIKeyUYSXHVJCOSQKFY-UHFFFAOYSA-N
XLogP3.69
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 146381547) is 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cn(-c3cccnc3)nc2C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is UYSXHVJCOSQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N8O/c1-12(2)29-11-24-27-19(29)15-6-3-7-16(25-15)26-20(31)14-10-30(28-17(14)18(21)22)13-5-4-8-23-9-13/h3-12,18H,1-2H3,(H,25,26,31).
What are the key properties of 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 146381547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).