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

C25H28FN4O4PS — CID 167433969

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

4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433969) has the molecular formula C25H28FN4O4PS and a molecular weight of 530.56 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167433969
• Molecular Formula: C25H28FN4O4PS
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.16
• IUPAC Name: 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: Cc1cc(C)nc(Oc2c(-c3cn(C)c(=O)c4[nH]c(C(=O)NC(C)C)cc34)sc(P(C)(C)=O)c2F)c1
• InChI: InChI=1S/C25H28FN4O4PS/c1-12(2)27-23(31)17-10-15-16(11-30(5)24(32)20(15)29-17)22-21(19(26)25(36-22)35(6,7)33)34-18-9-13(3)8-14(4)28-18/h8-12,29H,1-7H3,(H,27,31)
• InChIKey: WWCFYNQFWBEYNT-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	4.92
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 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433969) is 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cc(C)nc(Oc2c(-c3cn(C)c(=O)c4[nH]c(C(=O)NC(C)C)cc34)sc(P(C)(C)=O)c2F)c1.

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

The InChIKey is WWCFYNQFWBEYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN4O4PS/c1-12(2)27-23(31)17-10-15-16(11-30(5)24(32)20(15)29-17)22-21(19(26)25(36-22)35(6,7)33)34-18-9-13(3)8-14(4)28-18/h8-12,29H,1-7H3,(H,27,31).

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

4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 530.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-dimethylphosphoryl-3-[(4,6-dimethyl-2-pyridinyl)oxy]-4-fluorothiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).