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

C28H23FN10O — CID 135256709

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

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (PubChem CID 135256709) has the molecular formula C28H23FN10O and a molecular weight of 534.56 g/mol. Its IUPAC name is 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
• PubChem CID: 135256709
• Molecular Formula: C28H23FN10O
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.20
• IUPAC Name: 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C#N)[nH]n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccc(F)nc4C)nc3)nc2)n1
• InChI: InChI=1S/C28H23FN10O/c1-15-10-25(36-26-11-20(12-30)38-39-26)37-27(33-15)19-5-8-23(32-14-19)28(40)35-16(2)18-4-7-22(31-13-18)21-6-9-24(29)34-17(21)3/h4-11,13-14,16H,1-3H3,(H,35,40)(H2,33,36,37,38,39)
• InChIKey: ZCCLKPILIOYPBN-UHFFFAOYSA-N
• XLogP: 4.58
• 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	534.56
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide (CID 135256709) is 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C#N)[nH]n2)nc(-c2ccc(C(=O)NC(C)c3ccc(-c4ccc(F)nc4C)nc3)nc2)n1.

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

The InChIKey is ZCCLKPILIOYPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN10O/c1-15-10-25(36-26-11-20(12-30)38-39-26)37-27(33-15)19-5-8-23(32-14-19)28(40)35-16(2)18-4-7-22(31-13-18)21-6-9-24(29)34-17(21)3/h4-11,13-14,16H,1-3H3,(H,35,40)(H2,33,36,37,38,39).

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

5-[4-[(5-cyano-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 4.58, 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]-N-[1-[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135256709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).