5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

C22H16F4N6O2 — CID 71010061

IUPAC5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2OC(F)(F)F)cn1
InChIInChI=1S/C22H16F4N6O2/c1-12-16(7-27-8-17(12)23)21(33)31-20-10-28-18(9-29-20)15-5-13(14-6-30-32(2)11-14)3-4-19(15)34-22(24,25)26/h3-11H,1-2H3,(H,29,31,33)
InChIKeyPHDUBMDZGOHOPU-UHFFFAOYSA-N
MW472.40 g/mol
LogP4.54
Rot. Bonds5

About 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 71010061) has the molecular formula C22H16F4N6O2 and a molecular weight of 472.40 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID71010061
Molecular FormulaC22H16F4N6O2
Molecular Weight472.40 g/mol
Exact Mass472.13
IUPAC Name5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2OC(F)(F)F)cn1
InChIInChI=1S/C22H16F4N6O2/c1-12-16(7-27-8-17(12)23)21(33)31-20-10-28-18(9-29-20)15-5-13(14-6-30-32(2)11-14)3-4-19(15)34-22(24,25)26/h3-11H,1-2H3,(H,29,31,33)
InChIKeyPHDUBMDZGOHOPU-UHFFFAOYSA-N
XLogP4.54
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (CID 71010061) is 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1c(F)cncc1C(=O)Nc1cnc(-c2cc(-c3cnn(C)c3)ccc2OC(F)(F)F)cn1.
What is the InChIKey of 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is PHDUBMDZGOHOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6O2/c1-12-16(7-27-8-17(12)23)21(33)31-20-10-28-18(9-29-20)15-5-13(14-6-30-32(2)11-14)3-4-19(15)34-22(24,25)26/h3-11H,1-2H3,(H,29,31,33).
What are the key properties of 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?
5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 472.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-N-[5-[5-(1-methylpyrazol-4-yl)-2-(trifluoromethoxy)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71010061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).