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

C27H20F2N10O — CID 135256865

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

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 135256865) has the molecular formula C27H20F2N10O and a molecular weight of 538.52 g/mol. Its IUPAC name is 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• PubChem CID: 135256865
• Molecular Formula: C27H20F2N10O
• Molecular Weight: 538.52 g/mol
• Exact Mass: 538.18
• IUPAC Name: 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C#N)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-c4cc(F)cnc4C)nc3)c(F)c2)n1
• InChI: InChI=1S/C27H20F2N10O/c1-14-5-23(36-24-8-19(9-30)38-39-24)37-26(35-14)17-6-21(29)25(33-12-17)27(40)34-11-16-3-4-22(32-10-16)20-7-18(28)13-31-15(20)2/h3-8,10,12-13H,11H2,1-2H3,(H,34,40)(H2,35,36,37,38,39)
• InChIKey: DDMGJFIFBWMZGG-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 158.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.52
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 135256865) is 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C#N)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-c4cc(F)cnc4C)nc3)c(F)c2)n1.

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

The InChIKey is DDMGJFIFBWMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N10O/c1-14-5-23(36-24-8-19(9-30)38-39-24)37-26(35-14)17-6-21(29)25(33-12-17)27(40)34-11-16-3-4-22(32-10-16)20-7-18(28)13-31-15(20)2/h3-8,10,12-13H,11H2,1-2H3,(H,34,40)(H2,35,36,37,38,39).

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

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 538.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).