3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide

C19H13F2N5OS — CID 118227495

IUPAC3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C19H13F2N5OS/c1-26-16(8-15(25-26)11-4-2-3-5-13(11)20)19-23-10-17(28-19)24-18(27)12-6-7-22-9-14(12)21/h2-10H,1H3,(H,24,27)
InChIKeyFOXYHQPBMKZJND-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.14
Rot. Bonds4

About 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide

3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (PubChem CID 118227495) has the molecular formula C19H13F2N5OS and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
PubChem CID118227495
Molecular FormulaC19H13F2N5OS
Molecular Weight397.41 g/mol
Exact Mass397.08
IUPAC Name3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C19H13F2N5OS/c1-26-16(8-15(25-26)11-4-2-3-5-13(11)20)19-23-10-17(28-19)24-18(27)12-6-7-22-9-14(12)21/h2-10H,1H3,(H,24,27)
InChIKeyFOXYHQPBMKZJND-UHFFFAOYSA-N
XLogP4.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (CID 118227495) is 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ncc(NC(=O)c2ccncc2F)s1.
What is the InChIKey of 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The InChIKey is FOXYHQPBMKZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5OS/c1-26-16(8-15(25-26)11-4-2-3-5-13(11)20)19-23-10-17(28-19)24-18(27)12-6-7-22-9-14(12)21/h2-10H,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118227495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).