2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine

C49H51F5N14 — CID 144749823

About 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine

2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine (PubChem CID 144749823) has the molecular formula C49H51F5N14 and a molecular weight of 931.03 g/mol. Its IUPAC name is 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine.

Molecular Properties

• Compound Name: 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine
• PubChem CID: 144749823
• Molecular Formula: C49H51F5N14
• Molecular Weight: 931.03 g/mol
• Exact Mass: 930.43
• IUPAC Name: 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine
• SMILES: CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)c(C#N)c3)CC2)c2c1CCC2
• InChI: InChI=1S/C25H25F4N7.C24H26FN7/c1-34(15-16-5-6-17(26)14-20(16)25(27,28)29)18-8-12-36(13-9-18)24-19-4-3-10-30-22(19)23(32-33-24)21-7-11-31-35(21)2;1-31-22(7-10-28-31)23-19-3-2-4-20(19)24(30-29-23)32-11-8-18(9-12-32)27-15-16-5-6-21(25)17(13-16)14-26/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3;5-7,10,13,18,27H,2-4,8-9,11-12,15H2,1H3
• InChIKey: OLPJJNUVJDIMSI-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 145.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.03
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine?

The IUPAC name of 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine (CID 144749823) is 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine.

What is the SMILES notation for 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine?

The canonical SMILES for 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine is CN(Cc1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ncccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)c(C#N)c3)CC2)c2c1CCC2.

What is the InChIKey of 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine?

The InChIKey is OLPJJNUVJDIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N7.C24H26FN7/c1-34(15-16-5-6-17(26)14-20(16)25(27,28)29)18-8-12-36(13-9-18)24-19-4-3-10-30-22(19)23(32-33-24)21-7-11-31-35(21)2;1-31-22(7-10-28-31)23-19-3-2-4-20(19)24(30-29-23)32-11-8-18(9-12-32)27-15-16-5-6-21(25)17(13-16)14-26/h3-7,10-11,14,18H,8-9,12-13,15H2,1-2H3;5-7,10,13,18,27H,2-4,8-9,11-12,15H2,1H3.

What are the key properties of 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine?

2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine has a molecular weight of 931.03 g/mol, XLogP of 7.82, 10 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[[[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]amino]methyl]benzonitrile;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[8-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-5-yl]piperidin-4-amine is sourced from PubChem (CID 144749823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).