N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane

C35H45F2N8O7PS — CID 167508549

About N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane

N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane (PubChem CID 167508549) has the molecular formula C35H45F2N8O7PS and a molecular weight of 790.83 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane
• PubChem CID: 167508549
• Molecular Formula: C35H45F2N8O7PS
• Molecular Weight: 790.83 g/mol
• Exact Mass: 790.28
• IUPAC Name: N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane
• SMILES: CCNP(OCn1cc(-c2nc(C(=O)Nc3cn(C4CCCCC4)nc3-c3nc(F)ccc3F)cs2)cn1)Oc1ccccc1.CCO.COC.O=CO
• InChI: InChI=1S/C30H31F2N8O3PS.2C2H6O.CH2O2/c1-2-34-44(43-22-11-7-4-8-12-22)42-19-39-16-20(15-33-39)30-36-25(18-45-30)29(41)35-24-17-40(21-9-5-3-6-10-21)38-28(24)27-23(31)13-14-26(32)37-27;1-3-2;1-2-3;2-1-3/h4,7-8,11-18,21,34H,2-3,5-6,9-10,19H2,1H3,(H,35,41);1-2H3;3H,2H2,1H3;1H,(H,2,3)
• InChIKey: VDNFWIRMSPIZTL-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 187.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	790.83
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane?

The IUPAC name of N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane (CID 167508549) is N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane.

What is the SMILES notation for N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane?

The canonical SMILES for N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane is CCNP(OCn1cc(-c2nc(C(=O)Nc3cn(C4CCCCC4)nc3-c3nc(F)ccc3F)cs2)cn1)Oc1ccccc1.CCO.COC.O=CO.

What is the InChIKey of N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane?

The InChIKey is VDNFWIRMSPIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N8O3PS.2C2H6O.CH2O2/c1-2-34-44(43-22-11-7-4-8-12-22)42-19-39-16-20(15-33-39)30-36-25(18-45-30)29(41)35-24-17-40(21-9-5-3-6-10-21)38-28(24)27-23(31)13-14-26(32)37-27;1-3-2;1-2-3;2-1-3/h4,7-8,11-18,21,34H,2-3,5-6,9-10,19H2,1H3,(H,35,41);1-2H3;3H,2H2,1H3;1H,(H,2,3).

What are the key properties of N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane?

N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane has a molecular weight of 790.83 g/mol, XLogP of 7.15, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-[1-[[ethylamino(phenoxy)phosphanyl]oxymethyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide;ethanol;formic acid;methoxymethane is sourced from PubChem (CID 167508549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).