N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide

C37H36F2N8O4 — CID 142563795

About N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide

N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide (PubChem CID 142563795) has the molecular formula C37H36F2N8O4 and a molecular weight of 694.74 g/mol. Its IUPAC name is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide
• PubChem CID: 142563795
• Molecular Formula: C37H36F2N8O4
• Molecular Weight: 694.74 g/mol
• Exact Mass: 694.28
• IUPAC Name: N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide
• SMILES: Cn1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C37H36F2N8O4/c1-45-21-30(34(48)32(22-2-4-25(38)5-3-22)33(45)37(50)46-12-14-51-15-13-46)36(49)44-26-6-7-28(31(39)17-26)29-16-23(18-42-35(29)40)24-19-43-47(20-24)27-8-10-41-11-9-27/h2-7,16-21,27,41H,8-15H2,1H3,(H2,40,42)(H,44,49)
• InChIKey: WEGQXKZOWYJRKH-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 149.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	694.74
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide (CID 142563795) is N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1C(=O)N1CCOCC1.

What is the InChIKey of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide?

The InChIKey is WEGQXKZOWYJRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F2N8O4/c1-45-21-30(34(48)32(22-2-4-25(38)5-3-22)33(45)37(50)46-12-14-51-15-13-46)36(49)44-26-6-7-28(31(39)17-26)29-16-23(18-42-35(29)40)24-19-43-47(20-24)27-8-10-41-11-9-27/h2-7,16-21,27,41H,8-15H2,1H3,(H2,40,42)(H,44,49).

What are the key properties of N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide?

N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide has a molecular weight of 694.74 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-fluorophenyl)-1-methyl-6-(morpholine-4-carbonyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 142563795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).