N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide

C33H42FN7O3S — CID 146211652

About N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide

N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 146211652) has the molecular formula C33H42FN7O3S and a molecular weight of 635.81 g/mol. Its IUPAC name is N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide
• PubChem CID: 146211652
• Molecular Formula: C33H42FN7O3S
• Molecular Weight: 635.81 g/mol
• Exact Mass: 635.31
• IUPAC Name: N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide
• SMILES: CC(C)N1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(-c4cnc(N5CCC(N6CCCCC6)CC5)c(NS(C)(=O)=O)c4)cc3c12
• InChI: InChI=1S/C33H42FN7O3S/c1-21(2)41-19-33(20-41)30-25-15-24(26(34)16-27(25)35-18-29(30)38(3)32(33)42)22-14-28(37-45(4,43)44)31(36-17-22)40-12-8-23(9-13-40)39-10-6-5-7-11-39/h14-18,21,23,37H,5-13,19-20H2,1-4H3
• InChIKey: ACFHRNSCONGFBK-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 101.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.81
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide (CID 146211652) is N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide is CC(C)N1CC2(C1)C(=O)N(C)c1cnc3cc(F)c(-c4cnc(N5CCC(N6CCCCC6)CC5)c(NS(C)(=O)=O)c4)cc3c12.

What is the InChIKey of N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide?

The InChIKey is ACFHRNSCONGFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42FN7O3S/c1-21(2)41-19-33(20-41)30-25-15-24(26(34)16-27(25)35-18-29(30)38(3)32(33)42)22-14-28(37-45(4,43)44)31(36-17-22)40-12-8-23(9-13-40)39-10-6-5-7-11-39/h14-18,21,23,37H,5-13,19-20H2,1-4H3.

What are the key properties of N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide?

N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 635.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(7'-fluoro-3'-methyl-2'-oxo-1-propan-2-ylspiro[azetidine-3,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 146211652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).