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

C27H23F2N9O — CID 135256920

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

3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256920) has the molecular formula C27H23F2N9O and a molecular weight of 527.54 g/mol. Its IUPAC name is 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256920
• Molecular Formula: C27H23F2N9O
• Molecular Weight: 527.54 g/mol
• Exact Mass: 527.20
• IUPAC Name: 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-c4cc(F)cnc4C)nc3)c(F)c2)n1
• InChI: InChI=1S/C27H23F2N9O/c1-14-6-23(35-24-7-15(2)37-38-24)36-26(34-14)18-8-21(29)25(32-12-18)27(39)33-11-17-4-5-22(31-10-17)20-9-19(28)13-30-16(20)3/h4-10,12-13H,11H2,1-3H3,(H,33,39)(H2,34,35,36,37,38)
• InChIKey: RJEQIRUMNFUVIJ-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 134.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.54
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256920) is 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

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

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

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

The InChIKey is RJEQIRUMNFUVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N9O/c1-14-6-23(35-24-7-15(2)37-38-24)36-26(34-14)18-8-21(29)25(32-12-18)27(39)33-11-17-4-5-22(31-10-17)20-9-19(28)13-30-16(20)3/h4-10,12-13H,11H2,1-3H3,(H,33,39)(H2,34,35,36,37,38).

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

3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 527.54 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).