6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

C30H24N4OS — CID 172600236

IUPAC6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(C#Cc3nccc4cnc(Nc5ccc(SC6CCC6)cc5)cc34)ccc2C12CC2
InChIInChI=1S/C30H24N4OS/c35-29-30(13-14-30)25-10-4-19(16-27(25)34-29)5-11-26-24-17-28(32-18-20(24)12-15-31-26)33-21-6-8-23(9-7-21)36-22-2-1-3-22/h4,6-10,12,15-18,22H,1-3,13-14H2,(H,32,33)(H,34,35)
InChIKeyGKDVDILJSNNFPX-UHFFFAOYSA-N
MW488.62 g/mol
LogP6.40
Rot. Bonds4

About 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one

6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 172600236) has the molecular formula C30H24N4OS and a molecular weight of 488.62 g/mol. Its IUPAC name is 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID172600236
Molecular FormulaC30H24N4OS
Molecular Weight488.62 g/mol
Exact Mass488.17
IUPAC Name6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(C#Cc3nccc4cnc(Nc5ccc(SC6CCC6)cc5)cc34)ccc2C12CC2
InChIInChI=1S/C30H24N4OS/c35-29-30(13-14-30)25-10-4-19(16-27(25)34-29)5-11-26-24-17-28(32-18-20(24)12-15-31-26)33-21-6-8-23(9-7-21)36-22-2-1-3-22/h4,6-10,12,15-18,22H,1-3,13-14H2,(H,32,33)(H,34,35)
InChIKeyGKDVDILJSNNFPX-UHFFFAOYSA-N
XLogP6.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.62
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[2-[7-(4-cyclopropylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]-3,3-dimethyl-1H-indol-2-one
CID 172600481
6-[2-[7-(4-cyclopropylsulfanyl-2-methoxyanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 172600846
6-[2-[7-[4-(cyclobutylamino)sulfanylanilino]-2,6-naphthyridin-1-yl]ethynyl]-3,3-dimethyl-1H-indol-2-one
CID 172600047
3,3-diethyl-6-[2-[7-(4-methylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-indol-2-one
CID 172601226
6-[2-[7-[4-(3,3-difluorocyclobutyl)sulfonyl-2-methoxyanilino]-2,6-naphthyridin-1-yl]ethynyl]-3,3-diethyl-1H-indol-2-one
CID 172600738
5-[2-[7-(4-methylsulfonylanilino)-2,6-naphthyridin-1-yl]ethynyl]-1H-pyridin-2-one
CID 172600323
5-[2-(1,3-benzodioxol-5-yl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600888
4-[[5-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethynyl]-2,6-naphthyridin-3-yl]amino]benzenesulfonic acid
CID 172600003
5-[2-(2-amino-3-pyridinyl)ethynyl]-N-[4-(propan-2-ylamino)sulfanylphenyl]-2,6-naphthyridin-3-amine
CID 172601108
5-[2-(2-methoxy-4-pyridinyl)ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600118
N-(4-methylsulfonylphenyl)-5-(2-pyridin-3-ylethynyl)-2,6-naphthyridin-3-amine
CID 172601046
5-[2-[6-(difluoromethyl)-3-pyridinyl]ethynyl]-N-(4-methylsulfonylphenyl)-2,6-naphthyridin-3-amine
CID 172600378

Frequently Asked Questions

What is the IUPAC name of 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 172600236) is 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cc(C#Cc3nccc4cnc(Nc5ccc(SC6CCC6)cc5)cc34)ccc2C12CC2.
What is the InChIKey of 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is GKDVDILJSNNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4OS/c35-29-30(13-14-30)25-10-4-19(16-27(25)34-29)5-11-26-24-17-28(32-18-20(24)12-15-31-26)33-21-6-8-23(9-7-21)36-22-2-1-3-22/h4,6-10,12,15-18,22H,1-3,13-14H2,(H,32,33)(H,34,35).
What are the key properties of 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one?
6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 488.62 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[7-(4-cyclobutylsulfanylanilino)-2,6-naphthyridin-1-yl]ethynyl]spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 172600236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).