N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

C21H15F3N6O2 — CID 129255079

IUPACN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)nc1
InChIInChI=1S/C21H15F3N6O2/c1-13-9-17(14-3-2-8-25-10-14)29-30(13)16-5-6-18(26-12-16)28-20(31)15-4-7-19(27-11-15)32-21(22,23)24/h2-12H,1H3,(H,26,28,31)
InChIKeyPGBLPKGSKLJCFW-UHFFFAOYSA-N
MW440.39 g/mol
LogP4.18
Rot. Bonds5

About N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide

N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 129255079) has the molecular formula C21H15F3N6O2 and a molecular weight of 440.39 g/mol. Its IUPAC name is N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID129255079
Molecular FormulaC21H15F3N6O2
Molecular Weight440.39 g/mol
Exact Mass440.12
IUPAC NameN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)nc1
InChIInChI=1S/C21H15F3N6O2/c1-13-9-17(14-3-2-8-25-10-14)29-30(13)16-5-6-18(26-12-16)28-20(31)15-4-7-19(27-11-15)32-21(22,23)24/h2-12H,1H3,(H,26,28,31)
InChIKeyPGBLPKGSKLJCFW-UHFFFAOYSA-N
XLogP4.18
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide (CID 129255079) is N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OC(F)(F)F)nc2)nc1.
What is the InChIKey of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is PGBLPKGSKLJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O2/c1-13-9-17(14-3-2-8-25-10-14)29-30(13)16-5-6-18(26-12-16)28-20(31)15-4-7-19(27-11-15)32-21(22,23)24/h2-12H,1H3,(H,26,28,31).
What are the key properties of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide?
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 440.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 129255079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).