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

C22H17F3N6O2 — CID 129255074

IUPACN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C22H17F3N6O2/c1-14-9-18(15-3-2-8-26-10-15)30-31(14)17-5-6-19(27-12-17)29-21(32)16-4-7-20(28-11-16)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,27,29,32)
InChIKeyBPMYUPROPMYTLA-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.23
Rot. Bonds6

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

N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 129255074) has the molecular formula C22H17F3N6O2 and a molecular weight of 454.41 g/mol. Its IUPAC name is N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID129255074
Molecular FormulaC22H17F3N6O2
Molecular Weight454.41 g/mol
Exact Mass454.14
IUPAC NameN-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C22H17F3N6O2/c1-14-9-18(15-3-2-8-26-10-15)30-31(14)17-5-6-19(27-12-17)29-21(32)16-4-7-20(28-11-16)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,27,29,32)
InChIKeyBPMYUPROPMYTLA-UHFFFAOYSA-N
XLogP4.23
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129255075
N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide
CID 89354274
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46563842
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567
CID 89354167
CID 89354167
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 123146301

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 129255074) is N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)nc1.
What is the InChIKey of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is BPMYUPROPMYTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O2/c1-14-9-18(15-3-2-8-26-10-15)30-31(14)17-5-6-19(27-12-17)29-21(32)16-4-7-20(28-11-16)33-13-22(23,24)25/h2-12H,13H2,1H3,(H,27,29,32).
What are the key properties of N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 454.41 g/mol, XLogP of 4.23, 6 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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 129255074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).