5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione

C19H20FN3OS — CID 144866869

IUPAC5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione
SMILESFc1ccc(=S)[nH]c1.Nc1cc(C2CC2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H16N2O.C5H4FNS/c15-9-6-10(8-2-3-8)12-11(7-9)14(4-1-5-14)13(17)16-12;6-4-1-2-5(8)7-3-4/h6-8H,1-5,15H2,(H,16,17);1-3H,(H,7,8)
InChIKeyZNCVNUHEUPRQRZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.40
Rot. Bonds1

About 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione

5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione (PubChem CID 144866869) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione
PubChem CID144866869
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione
SMILESFc1ccc(=S)[nH]c1.Nc1cc(C2CC2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H16N2O.C5H4FNS/c15-9-6-10(8-2-3-8)12-11(7-9)14(4-1-5-14)13(17)16-12;6-4-1-2-5(8)7-3-4/h6-8H,1-5,15H2,(H,16,17);1-3H,(H,7,8)
InChIKeyZNCVNUHEUPRQRZ-UHFFFAOYSA-N
XLogP4.40
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione 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

5-amino-7-(2-oxopiperidin-4-yl)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209505
5,7-diaminospiro[1H-indole-3,1'-cyclobutane]-2-one;2,4-difluorobenzenethiol
CID 145209280
5-amino-7-bromospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 118186252
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclobutane]-2-one
CID 106702087
5-amino-7-(1-phenylethyl)spiro[1H-indole-3,1'-cyclobutane]-2-one;2,4-difluorobenzenethiol
CID 145209299
5-amino-7-imidazol-1-ylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 118186278
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
5-amino-3-cyclopentyl-1H-pyridin-2-one
CID 172992509
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
N-(7-cyclopropyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)pyridine-2-sulfonamide
CID 135124467
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 144866846

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione?
The IUPAC name of 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione (CID 144866869) is 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione.
What is the SMILES notation for 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione?
The canonical SMILES for 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione is Fc1ccc(=S)[nH]c1.Nc1cc(C2CC2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione?
The InChIKey is ZNCVNUHEUPRQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C5H4FNS/c15-9-6-10(8-2-3-8)12-11(7-9)14(4-1-5-14)13(17)16-12;6-4-1-2-5(8)7-3-4/h6-8H,1-5,15H2,(H,16,17);1-3H,(H,7,8).
What are the key properties of 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione?
5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione has a molecular weight of 357.45 g/mol, XLogP of 4.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-cyclopropylspiro[1H-indole-3,1'-cyclobutane]-2-one;5-fluoro-1H-pyridine-2-thione is sourced from PubChem (CID 144866869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).