3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C25H25FN6O2S2 — CID 24962861

About 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 24962861) has the molecular formula C25H25FN6O2S2 and a molecular weight of 524.65 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• PubChem CID: 24962861
• Molecular Formula: C25H25FN6O2S2
• Molecular Weight: 524.65 g/mol
• Exact Mass: 524.15
• IUPAC Name: 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• SMILES: CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)c1cccc(C)n1
• InChI: InChI=1S/C25H25FN6O2S2/c1-3-11-25(34,18-8-6-7-16(2)31-18)15-30-23(33)22-21(26)17(10-13-28-22)35-20-14-29-24(36-20)32-19-9-4-5-12-27-19/h4-10,12-14,34H,3,11,15H2,1-2H3,(H,30,33)(H,27,29,32)
• InChIKey: VFLZBAQHNMQMNL-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 112.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.65
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The IUPAC name of 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 24962861) is 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The canonical SMILES for 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)c1cccc(C)n1.

What is the InChIKey of 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The InChIKey is VFLZBAQHNMQMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2S2/c1-3-11-25(34,18-8-6-7-16(2)31-18)15-30-23(33)22-21(26)17(10-13-28-22)35-20-14-29-24(36-20)32-19-9-4-5-12-27-19/h4-10,12-14,34H,3,11,15H2,1-2H3,(H,30,33)(H,27,29,32).

What are the key properties of 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 5.09, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-hydroxy-2-(6-methyl-2-pyridinyl)pentyl]-4-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 24962861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).