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

C24H24FN4O4PS — CID 167433987

IUPACN-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cccnc1Oc1c(-c2cn(C)c(=O)c3[nH]c(C(=O)NC4CC4)cc23)sc(P(C)(C)=O)c1F
InChIInChI=1S/C24H24FN4O4PS/c1-12-6-5-9-26-22(12)33-19-17(25)24(34(3,4)32)35-20(19)15-11-29(2)23(31)18-14(15)10-16(28-18)21(30)27-13-7-8-13/h5-6,9-11,13,28H,7-8H2,1-4H3,(H,27,30)
InChIKeyHMNXLPTTZNVZGG-UHFFFAOYSA-N
MW514.52 g/mol
LogP4.37
Rot. Bonds6

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

N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433987) has the molecular formula C24H24FN4O4PS and a molecular weight of 514.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433987
Molecular FormulaC24H24FN4O4PS
Molecular Weight514.52 g/mol
Exact Mass514.12
IUPAC NameN-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCc1cccnc1Oc1c(-c2cn(C)c(=O)c3[nH]c(C(=O)NC4CC4)cc23)sc(P(C)(C)=O)c1F
InChIInChI=1S/C24H24FN4O4PS/c1-12-6-5-9-26-22(12)33-19-17(25)24(34(3,4)32)35-20(19)15-11-29(2)23(31)18-14(15)10-16(28-18)21(30)27-13-7-8-13/h5-6,9-11,13,28H,7-8H2,1-4H3,(H,27,30)
InChIKeyHMNXLPTTZNVZGG-UHFFFAOYSA-N
XLogP4.37
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-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-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433987) is N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-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-4-fluoro-3-[(3-methyl-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-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cc1cccnc1Oc1c(-c2cn(C)c(=O)c3[nH]c(C(=O)NC4CC4)cc23)sc(P(C)(C)=O)c1F.
What is the InChIKey of N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HMNXLPTTZNVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN4O4PS/c1-12-6-5-9-26-22(12)33-19-17(25)24(34(3,4)32)35-20(19)15-11-29(2)23(31)18-14(15)10-16(28-18)21(30)27-13-7-8-13/h5-6,9-11,13,28H,7-8H2,1-4H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-cyclopropyl-4-[5-dimethylphosphoryl-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 514.52 g/mol, XLogP of 4.37, 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-4-fluoro-3-[(3-methyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).