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

C29H28FN9O — CID 135256860

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

N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256860) has the molecular formula C29H28FN9O and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256860
• Molecular Formula: C29H28FN9O
• Molecular Weight: 537.60 g/mol
• Exact Mass: 537.24
• IUPAC Name: N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-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)NC(C)c3ccc(-c4cc(F)cnc4C)nc3)c(C)c2)n1
• InChI: InChI=1S/C29H28FN9O/c1-15-8-21(28-34-16(2)9-25(37-28)36-26-10-17(3)38-39-26)13-33-27(15)29(40)35-18(4)20-6-7-24(32-12-20)23-11-22(30)14-31-19(23)5/h6-14,18H,1-5H3,(H,35,40)(H2,34,36,37,38,39)
• InChIKey: GZRURNODFOJXMQ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 134.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.60
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256860) is N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

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

The canonical SMILES for N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-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)NC(C)c3ccc(-c4cc(F)cnc4C)nc3)c(C)c2)n1.

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

The InChIKey is GZRURNODFOJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN9O/c1-15-8-21(28-34-16(2)9-25(37-28)36-26-10-17(3)38-39-26)13-33-27(15)29(40)35-18(4)20-6-7-24(32-12-20)23-11-22(30)14-31-19(23)5/h6-14,18H,1-5H3,(H,35,40)(H2,34,36,37,38,39).

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

N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 537.60 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(5-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]ethyl]-3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).