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

C17H12FN5O2S — CID 118227496

IUPAC3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C17H12FN5O2S/c1-23-13(7-12(22-23)14-3-2-6-25-14)17-20-9-15(26-17)21-16(24)10-4-5-19-8-11(10)18/h2-9H,1H3,(H,21,24)
InChIKeyIGRCQEDZNASJQZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.59
Rot. Bonds4

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

3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (PubChem CID 118227496) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
PubChem CID118227496
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC Name3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccncc2F)s1
InChIInChI=1S/C17H12FN5O2S/c1-23-13(7-12(22-23)14-3-2-6-25-14)17-20-9-15(26-17)21-16(24)10-4-5-19-8-11(10)18/h2-9H,1H3,(H,21,24)
InChIKeyIGRCQEDZNASJQZ-UHFFFAOYSA-N
XLogP3.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (CID 118227496) is 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccncc2F)s1.
What is the InChIKey of 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The InChIKey is IGRCQEDZNASJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c1-23-13(7-12(22-23)14-3-2-6-25-14)17-20-9-15(26-17)21-16(24)10-4-5-19-8-11(10)18/h2-9H,1H3,(H,21,24).
What are the key properties of 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118227496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).