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

C23H29FN4O4S — CID 167433988

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

4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433988) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167433988
• Molecular Formula: C23H29FN4O4S
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.19
• IUPAC Name: 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: CNC(=O)c1cc2c(-c3sc(C(C)(C)O)c(F)c3OCC3CCCN3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C23H29FN4O4S/c1-23(2,31)20-16(24)18(32-11-12-7-6-8-27(12)4)19(33-20)14-10-28(5)22(30)17-13(14)9-15(26-17)21(29)25-3/h9-10,12,26,31H,6-8,11H2,1-5H3,(H,25,29)
• InChIKey: TUJBDBMTSIBJIO-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 99.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433988) is 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3sc(C(C)(C)O)c(F)c3OCC3CCCN3C)cn(C)c(=O)c2[nH]1.

What is the InChIKey of 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is TUJBDBMTSIBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-23(2,31)20-16(24)18(32-11-12-7-6-8-27(12)4)19(33-20)14-10-28(5)22(30)17-13(14)9-15(26-17)21(29)25-3/h9-10,12,26,31H,6-8,11H2,1-5H3,(H,25,29).

What are the key properties of 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-fluoro-5-(2-hydroxypropan-2-yl)-3-[(1-methylpyrrolidin-2-yl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).