N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide

C29H24N6O4S — CID 146211948

About N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide

N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 146211948) has the molecular formula C29H24N6O4S and a molecular weight of 552.62 g/mol. Its IUPAC name is N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide
• PubChem CID: 146211948
• Molecular Formula: C29H24N6O4S
• Molecular Weight: 552.62 g/mol
• Exact Mass: 552.16
• IUPAC Name: N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide
• SMILES: COc1ncc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4Cc2cn[nH]c2)cc1NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C29H24N6O4S/c1-39-27-24(34-40(37,38)21-5-3-2-4-6-21)12-20(15-31-27)19-7-8-23-22(11-19)26-25(16-30-23)35(17-18-13-32-33-14-18)28(36)29(26)9-10-29/h2-8,11-16,34H,9-10,17H2,1H3,(H,32,33)
• InChIKey: FORUGBPRAURXTE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 130.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide?

The IUPAC name of N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide (CID 146211948) is N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4Cc2cn[nH]c2)cc1NS(=O)(=O)c1ccccc1.

What is the InChIKey of N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide?

The InChIKey is FORUGBPRAURXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O4S/c1-39-27-24(34-40(37,38)21-5-3-2-4-6-21)12-20(15-31-27)19-7-8-23-22(11-19)26-25(16-30-23)35(17-18-13-32-33-14-18)28(36)29(26)9-10-29/h2-8,11-16,34H,9-10,17H2,1H3,(H,32,33).

What are the key properties of N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide?

N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 552.62 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[2'-oxo-3'-(1H-pyrazol-4-ylmethyl)spiro[cyclopropane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 146211948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).