6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide

C31H29FN10O3 — CID 172863463

About 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide

6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide (PubChem CID 172863463) has the molecular formula C31H29FN10O3 and a molecular weight of 608.64 g/mol. Its IUPAC name is 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide
• PubChem CID: 172863463
• Molecular Formula: C31H29FN10O3
• Molecular Weight: 608.64 g/mol
• Exact Mass: 608.24
• IUPAC Name: 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide
• SMILES: Cn1c(C(N)=O)c(-c2ccc(F)cc2)c(=O)c(C(N)=O)c1-c1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)nn1
• InChI: InChI=1S/C31H29FN10O3/c1-41-26(25(30(34)44)28(43)24(27(41)31(35)45)16-2-4-19(32)5-3-16)23-7-6-22(39-40-23)21-12-17(13-37-29(21)33)18-14-38-42(15-18)20-8-10-36-11-9-20/h2-7,12-15,20,36H,8-11H2,1H3,(H2,33,37)(H2,34,44)(H2,35,45)
• InChIKey: ZRAPUUJROWJMEI-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 202.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.64
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide?

The IUPAC name of 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide (CID 172863463) is 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide.

What is the SMILES notation for 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide?

The canonical SMILES for 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide is Cn1c(C(N)=O)c(-c2ccc(F)cc2)c(=O)c(C(N)=O)c1-c1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)nn1.

What is the InChIKey of 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide?

The InChIKey is ZRAPUUJROWJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN10O3/c1-41-26(25(30(34)44)28(43)24(27(41)31(35)45)16-2-4-19(32)5-3-16)23-7-6-22(39-40-23)21-12-17(13-37-29(21)33)18-14-38-42(15-18)20-8-10-36-11-9-20/h2-7,12-15,20,36H,8-11H2,1H3,(H2,33,37)(H2,34,44)(H2,35,45).

What are the key properties of 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide?

6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide has a molecular weight of 608.64 g/mol, XLogP of 2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-1-methyl-4-oxopyridine-2,5-dicarboxamide is sourced from PubChem (CID 172863463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).