1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride

C26H31ClFN5O2P2 — CID 175380544

About 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride

1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride (PubChem CID 175380544) has the molecular formula C26H31ClFN5O2P2 and a molecular weight of 561.97 g/mol. Its IUPAC name is 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride.

Molecular Properties

• Compound Name: 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
• PubChem CID: 175380544
• Molecular Formula: C26H31ClFN5O2P2
• Molecular Weight: 561.97 g/mol
• Exact Mass: 561.16
• IUPAC Name: 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
• SMILES: Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc(P(C)(C)=O)cc4)c2=O)C(C)N(P)CC3)cc(C)c1F.Cl
• InChI: InChI=1S/C26H30FN5O2P2.ClH/c1-16-14-20(15-17(2)24(16)27)32-25(23-18(3)31(35)11-10-22(23)28-32)30-13-12-29(26(30)33)19-6-8-21(9-7-19)36(4,5)34;/h6-9,12-15,18H,10-11,35H2,1-5H3;1H
• InChIKey: POEUSLXAYQEUNT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 65.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.97
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?

The IUPAC name of 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride (CID 175380544) is 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride.

What is the SMILES notation for 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?

The canonical SMILES for 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride is Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc(P(C)(C)=O)cc4)c2=O)C(C)N(P)CC3)cc(C)c1F.Cl.

What is the InChIKey of 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?

The InChIKey is POEUSLXAYQEUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2P2.ClH/c1-16-14-20(15-17(2)24(16)27)32-25(23-18(3)31(35)11-10-22(23)28-32)30-13-12-29(26(30)33)19-6-8-21(9-7-19)36(4,5)34;/h6-9,12-15,18H,10-11,35H2,1-5H3;1H.

What are the key properties of 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride?

1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride has a molecular weight of 561.97 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-dimethylphosphorylphenyl)-3-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-phosphanyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride is sourced from PubChem (CID 175380544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).