4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C24H32FN4O4PS — CID 167434302

IUPAC4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(-c3sc(P(C)(C)=O)c(F)c3OCC3CCCN3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C24H32FN4O4PS/c1-13(2)26-22(30)17-10-15-16(11-29(4)23(31)19(15)27-17)21-20(18(25)24(35-21)34(5,6)32)33-12-14-8-7-9-28(14)3/h10-11,13-14,27H,7-9,12H2,1-6H3,(H,26,30)
InChIKeyROXQJKWXNCEZSB-UHFFFAOYSA-N
MW522.58 g/mol
LogP3.59
Rot. Bonds7

About 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434302) has the molecular formula C24H32FN4O4PS and a molecular weight of 522.58 g/mol. Its IUPAC name is 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167434302
Molecular FormulaC24H32FN4O4PS
Molecular Weight522.58 g/mol
Exact Mass522.19
IUPAC Name4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2c(-c3sc(P(C)(C)=O)c(F)c3OCC3CCCN3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C24H32FN4O4PS/c1-13(2)26-22(30)17-10-15-16(11-29(4)23(31)19(15)27-17)21-20(18(25)24(35-21)34(5,6)32)33-12-14-8-7-9-28(14)3/h10-11,13-14,27H,7-9,12H2,1-6H3,(H,26,30)
InChIKeyROXQJKWXNCEZSB-UHFFFAOYSA-N
XLogP3.59
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-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-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434302) is 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-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-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-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-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CC(C)NC(=O)c1cc2c(-c3sc(P(C)(C)=O)c(F)c3OCC3CCCN3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ROXQJKWXNCEZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN4O4PS/c1-13(2)26-22(30)17-10-15-16(11-29(4)23(31)19(15)27-17)21-20(18(25)24(35-21)34(5,6)32)33-12-14-8-7-9-28(14)3/h10-11,13-14,27H,7-9,12H2,1-6H3,(H,26,30).
What are the key properties of 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-dimethylphosphoryl-4-fluoro-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-6-methyl-7-oxo-N-propan-2-yl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).