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

C37H39FN10O4 — CID 164518805

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

5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide (PubChem CID 164518805) has the molecular formula C37H39FN10O4 and a molecular weight of 706.78 g/mol. Its IUPAC name is 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide
• PubChem CID: 164518805
• Molecular Formula: C37H39FN10O4
• Molecular Weight: 706.78 g/mol
• Exact Mass: 706.31
• IUPAC Name: 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nn2)cn1CC1CCOCC1
• InChI: InChI=1S/C37H39FN10O4/c1-40-37(51)33-32(23-2-4-26(38)5-3-23)34(49)29(21-47(33)19-22-10-14-52-15-11-22)36(50)44-31-7-6-30(45-46-31)28-16-24(17-42-35(28)39)25-18-43-48(20-25)27-8-12-41-13-9-27/h2-7,16-18,20-22,27,41H,8-15,19H2,1H3,(H2,39,42)(H,40,51)(H,44,46,50)
• InChIKey: CSADSDQRVFTDES-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 183.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.78
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide (CID 164518805) is 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide.

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

The canonical SMILES for 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide is CNC(=O)c1c(-c2ccc(F)cc2)c(=O)c(C(=O)Nc2ccc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)nn2)cn1CC1CCOCC1.

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

The InChIKey is CSADSDQRVFTDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN10O4/c1-40-37(51)33-32(23-2-4-26(38)5-3-23)34(49)29(21-47(33)19-22-10-14-52-15-11-22)36(50)44-31-7-6-30(45-46-31)28-16-24(17-42-35(28)39)25-18-43-48(20-25)27-8-12-41-13-9-27/h2-7,16-18,20-22,27,41H,8-15,19H2,1H3,(H2,39,42)(H,40,51)(H,44,46,50).

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

5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide has a molecular weight of 706.78 g/mol, XLogP of 3.92, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]pyridazin-3-yl]-3-(4-fluorophenyl)-2-N-methyl-1-(oxan-4-ylmethyl)-4-oxopyridine-2,5-dicarboxamide is sourced from PubChem (CID 164518805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).