N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C25H27N4O4PS — CID 167434193

About N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434193) has the molecular formula C25H27N4O4PS and a molecular weight of 510.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434193
• Molecular Formula: C25H27N4O4PS
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.15
• IUPAC Name: N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cnc(Oc2cc(P(C)(C)=O)sc2-c2cn(C)c(=O)c3[nH]c(C(=O)NC4CC4)cc23)c(C)c1
• InChI: InChI=1S/C25H27N4O4PS/c1-13-8-14(2)24(26-11-13)33-19-10-20(34(4,5)32)35-22(19)17-12-29(3)25(31)21-16(17)9-18(28-21)23(30)27-15-6-7-15/h8-12,15,28H,6-7H2,1-5H3,(H,27,30)
• InChIKey: OQGQSWNTAXPMRO-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
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 N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434193) is N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cnc(Oc2cc(P(C)(C)=O)sc2-c2cn(C)c(=O)c3[nH]c(C(=O)NC4CC4)cc23)c(C)c1.

What is the InChIKey of N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is OQGQSWNTAXPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N4O4PS/c1-13-8-14(2)24(26-11-13)33-19-10-20(34(4,5)32)35-22(19)17-12-29(3)25(31)21-16(17)9-18(28-21)23(30)27-15-6-7-15/h8-12,15,28H,6-7H2,1-5H3,(H,27,30).

What are the key properties of N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 510.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).