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

C24H26N4O4S — CID 167434283

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

4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167434283) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 167434283
• Molecular Formula: C24H26N4O4S
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.17
• IUPAC Name: 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)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)cc3OCc3ncccc3C)cn(C)c(=O)c2[nH]1
• InChI: InChI=1S/C24H26N4O4S/c1-13-7-6-8-26-17(13)12-32-18-10-19(24(2,3)31)33-21(18)15-11-28(5)23(30)20-14(15)9-16(27-20)22(29)25-4/h6-11,27,31H,12H2,1-5H3,(H,25,29)
• InChIKey: IMAMFPRBPPORQG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 109.24 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	466.56
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167434283) is 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)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)cc3OCc3ncccc3C)cn(C)c(=O)c2[nH]1.

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

The InChIKey is IMAMFPRBPPORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-13-7-6-8-26-17(13)12-32-18-10-19(24(2,3)31)33-21(18)15-11-28(5)23(30)20-14(15)9-16(27-20)22(29)25-4/h6-11,27,31H,12H2,1-5H3,(H,25,29).

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

4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 466.56 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methoxy]thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167434283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).