6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

C27H28N6O5S — CID 170169904

IUPAC6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC5(CN(C(=O)O)C5)C4)c(NS(C)(=O)=O)c3)cc21
InChIInChI=1S/C27H28N6O5S/c1-31-21-11-28-19-5-4-16(8-18(19)22(21)27(24(31)34)6-3-7-27)17-9-20(30-39(2,37)38)23(29-10-17)32-12-26(13-32)14-33(15-26)25(35)36/h4-5,8-11,30H,3,6-7,12-15H2,1-2H3,(H,35,36)
InChIKeyUCFCNWBNSBJLMG-UHFFFAOYSA-N
MW548.63 g/mol
LogP2.87
Rot. Bonds4

About 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 170169904) has the molecular formula C27H28N6O5S and a molecular weight of 548.63 g/mol. Its IUPAC name is 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
PubChem CID170169904
Molecular FormulaC27H28N6O5S
Molecular Weight548.63 g/mol
Exact Mass548.18
IUPAC Name6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC5(CN(C(=O)O)C5)C4)c(NS(C)(=O)=O)c3)cc21
InChIInChI=1S/C27H28N6O5S/c1-31-21-11-28-19-5-4-16(8-18(19)22(21)27(24(31)34)6-3-7-27)17-9-20(30-39(2,37)38)23(29-10-17)32-12-26(13-32)14-33(15-26)25(35)36/h4-5,8-11,30H,3,6-7,12-15H2,1-2H3,(H,35,36)
InChIKeyUCFCNWBNSBJLMG-UHFFFAOYSA-N
XLogP2.87
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.63
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (CID 170169904) is 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is CN1C(=O)C2(CCC2)c2c1cnc1ccc(-c3cnc(N4CC5(CN(C(=O)O)C5)C4)c(NS(C)(=O)=O)c3)cc21.
What is the InChIKey of 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is UCFCNWBNSBJLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O5S/c1-31-21-11-28-19-5-4-16(8-18(19)22(21)27(24(31)34)6-3-7-27)17-9-20(30-39(2,37)38)23(29-10-17)32-12-26(13-32)14-33(15-26)25(35)36/h4-5,8-11,30H,3,6-7,12-15H2,1-2H3,(H,35,36).
What are the key properties of 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 548.63 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methanesulfonamido)-5-(3'-methyl-2'-oxospiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-8'-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 170169904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).