2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide

C19H13F2N5OS — CID 58486867

IUPAC2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C19H13F2N5OS/c1-26-15(9-14(25-26)19-22-7-8-28-19)11-5-6-16(23-10-11)24-18(27)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,23,24,27)
InChIKeyASAPZWUMNHFXJL-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.14
Rot. Bonds4

About 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 58486867) has the molecular formula C19H13F2N5OS and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide
PubChem CID58486867
Molecular FormulaC19H13F2N5OS
Molecular Weight397.41 g/mol
Exact Mass397.08
IUPAC Name2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C19H13F2N5OS/c1-26-15(9-14(25-26)19-22-7-8-28-19)11-5-6-16(23-10-11)24-18(27)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,23,24,27)
InChIKeyASAPZWUMNHFXJL-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 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide (CID 58486867) is 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide is Cn1nc(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is ASAPZWUMNHFXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5OS/c1-26-15(9-14(25-26)19-22-7-8-28-19)11-5-6-16(23-10-11)24-18(27)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,23,24,27).
What are the key properties of 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide 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 2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58486867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).