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

C17H11F2N5O2S — CID 118227498

IUPAC3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C17H11F2N5O2S/c1-24-12(5-11(23-24)13-3-2-4-26-13)17-21-8-14(27-17)22-16(25)15-9(18)6-20-7-10(15)19/h2-8H,1H3,(H,22,25)
InChIKeyZQIIPFZMPCDJBE-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.73
Rot. Bonds4

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

3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (PubChem CID 118227498) has the molecular formula C17H11F2N5O2S and a molecular weight of 387.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
PubChem CID118227498
Molecular FormulaC17H11F2N5O2S
Molecular Weight387.37 g/mol
Exact Mass387.06
IUPAC Name3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide
SMILESCn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2c(F)cncc2F)s1
InChIInChI=1S/C17H11F2N5O2S/c1-24-12(5-11(23-24)13-3-2-4-26-13)17-21-8-14(27-17)22-16(25)15-9(18)6-20-7-10(15)19/h2-8H,1H3,(H,22,25)
InChIKeyZQIIPFZMPCDJBE-UHFFFAOYSA-N
XLogP3.73
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide (CID 118227498) is 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-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)c2c(F)cncc2F)s1.
What is the InChIKey of 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
The InChIKey is ZQIIPFZMPCDJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2S/c1-24-12(5-11(23-24)13-3-2-4-26-13)17-21-8-14(27-17)22-16(25)15-9(18)6-20-7-10(15)19/h2-8H,1H3,(H,22,25).
What are the key properties of 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide?
3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).