4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H30N6O3S — CID 153427217

About 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427217) has the molecular formula C27H30N6O3S and a molecular weight of 518.64 g/mol. Its IUPAC name is 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427217
• Molecular Formula: C27H30N6O3S
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.21
• IUPAC Name: 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4ccc5c(ccn5C)c4)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C27H30N6O3S/c1-17-15-27(2,3)33(16-17)26-24(25(28)34)21(10-12-29-26)37(35,36)23-7-5-6-22(31-23)30-19-8-9-20-18(14-19)11-13-32(20)4/h5-14,17H,15-16H2,1-4H3,(H2,28,34)(H,30,31)
• InChIKey: JKRRHLIOMGVYII-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427217) is 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4ccc5c(ccn5C)c4)n3)c2C(N)=O)C(C)(C)C1.

What is the InChIKey of 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is JKRRHLIOMGVYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3S/c1-17-15-27(2,3)33(16-17)26-24(25(28)34)21(10-12-29-26)37(35,36)23-7-5-6-22(31-23)30-19-8-9-20-18(14-19)11-13-32(20)4/h5-14,17H,15-16H2,1-4H3,(H2,28,34)(H,30,31).

What are the key properties of 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).