5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C26H18F2N10OS — CID 135256829

About 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide

5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 135256829) has the molecular formula C26H18F2N10OS and a molecular weight of 556.56 g/mol. Its IUPAC name is 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 135256829
• Molecular Formula: C26H18F2N10OS
• Molecular Weight: 556.56 g/mol
• Exact Mass: 556.14
• IUPAC Name: 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2nsc(C#N)n2)nc(-c2cnc(C(=O)NCc3ccc(-c4ccc(F)nc4C)nc3)c(F)c2)n1
• InChI: InChI=1S/C26H18F2N10OS/c1-13-7-21(36-26-37-22(9-29)40-38-26)35-24(33-13)16-8-18(27)23(31-12-16)25(39)32-11-15-3-5-19(30-10-15)17-4-6-20(28)34-14(17)2/h3-8,10,12H,11H2,1-2H3,(H,32,39)(H,33,35,36,38)
• InChIKey: CMNRBLGRCVITQD-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 155.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.56
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 135256829) is 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(Nc2nsc(C#N)n2)nc(-c2cnc(C(=O)NCc3ccc(-c4ccc(F)nc4C)nc3)c(F)c2)n1.

What is the InChIKey of 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

The InChIKey is CMNRBLGRCVITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N10OS/c1-13-7-21(36-26-37-22(9-29)40-38-26)35-24(33-13)16-8-18(27)23(31-12-16)25(39)32-11-15-3-5-19(30-10-15)17-4-6-20(28)34-14(17)2/h3-8,10,12H,11H2,1-2H3,(H,32,39)(H,33,35,36,38).

What are the key properties of 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide?

5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 556.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyano-1,2,4-thiadiazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).