3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

C25H26FN7O2S2 — CID 59321435

About 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide

3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (PubChem CID 59321435) has the molecular formula C25H26FN7O2S2 and a molecular weight of 539.66 g/mol. Its IUPAC name is 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• PubChem CID: 59321435
• Molecular Formula: C25H26FN7O2S2
• Molecular Weight: 539.66 g/mol
• Exact Mass: 539.16
• IUPAC Name: 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
• SMILES: Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCNCC4)c3F)s2)c1
• InChI: InChI=1S/C25H26FN7O2S2/c1-15-3-7-28-19(11-15)32-24-30-13-20(37-24)36-17-4-8-29-22(21(17)26)23(34)31-14-25(5-9-27-10-6-25)18-12-16(2)35-33-18/h3-4,7-8,11-13,27H,5-6,9-10,14H2,1-2H3,(H,31,34)(H,28,30,32)
• InChIKey: NIEBVTPOXKWHGX-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 117.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.66
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The IUPAC name of 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide (CID 59321435) is 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The canonical SMILES for 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCNCC4)c3F)s2)c1.

What is the InChIKey of 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

The InChIKey is NIEBVTPOXKWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2S2/c1-15-3-7-28-19(11-15)32-24-30-13-20(37-24)36-17-4-8-29-22(21(17)26)23(34)31-14-25(5-9-27-10-6-25)18-12-16(2)35-33-18/h3-4,7-8,11-13,27H,5-6,9-10,14H2,1-2H3,(H,31,34)(H,28,30,32).

What are the key properties of 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide?

3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[4-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl]methyl]-4-[[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide is sourced from PubChem (CID 59321435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).