chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene

C34H38ClF2N7O — CID 143740468

About chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene

chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene (PubChem CID 143740468) has the molecular formula C34H38ClF2N7O and a molecular weight of 634.18 g/mol. Its IUPAC name is chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene.

Molecular Properties

• Compound Name: chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene
• PubChem CID: 143740468
• Molecular Formula: C34H38ClF2N7O
• Molecular Weight: 634.18 g/mol
• Exact Mass: 633.28
• IUPAC Name: chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene
• SMILES: C.C=CC.CCl.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ncc(-c3cnn(C4CCNCC4)c3)cn2)c1
• InChI: InChI=1S/C29H25F2N7O.C3H6.CH3Cl.CH4/c30-24-11-21(12-25(31)13-24)27-4-5-28(39)38(36-27)17-19-2-1-3-20(10-19)29-33-14-22(15-34-29)23-16-35-37(18-23)26-6-8-32-9-7-26;1-3-2;1-2;/h1-5,10-16,18,26,32H,6-9,17H2;3H,1H2,2H3;1H3;1H4
• InChIKey: UUJPEOWDZJBLND-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.18
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene?

The IUPAC name of chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene (CID 143740468) is chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene.

What is the SMILES notation for chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene?

The canonical SMILES for chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene is C.C=CC.CCl.O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ncc(-c3cnn(C4CCNCC4)c3)cn2)c1.

What is the InChIKey of chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene?

The InChIKey is UUJPEOWDZJBLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N7O.C3H6.CH3Cl.CH4/c30-24-11-21(12-25(31)13-24)27-4-5-28(39)38(36-27)17-19-2-1-3-20(10-19)29-33-14-22(15-34-29)23-16-35-37(18-23)26-6-8-32-9-7-26;1-3-2;1-2;/h1-5,10-16,18,26,32H,6-9,17H2;3H,1H2,2H3;1H3;1H4.

What are the key properties of chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene?

chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene has a molecular weight of 634.18 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;6-(3,5-difluorophenyl)-2-[[3-[5-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one;methane;prop-1-ene is sourced from PubChem (CID 143740468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).