2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C34H32F2N6O3S — CID 175681705

IUPAC2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3c(F)cc(N4CC5(CN(C(=O)C6CCOCC6)C5)C4)cc13)C(O)CC2
InChIInChI=1S/C34H32F2N6O3S/c1-40(33-39-28(27(14-37)46-33)19-2-4-21(35)5-3-19)31-23-6-7-26(43)30(23)38-29-24(31)12-22(13-25(29)36)41-15-34(16-41)17-42(18-34)32(44)20-8-10-45-11-9-20/h2-5,12-13,20,26,43H,6-11,15-18H2,1H3
InChIKeyQUGGQJXIHVBDCA-UHFFFAOYSA-N
MW642.73 g/mol
LogP5.33
Rot. Bonds5

About 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 175681705) has the molecular formula C34H32F2N6O3S and a molecular weight of 642.73 g/mol. Its IUPAC name is 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID175681705
Molecular FormulaC34H32F2N6O3S
Molecular Weight642.73 g/mol
Exact Mass642.22
IUPAC Name2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3c(F)cc(N4CC5(CN(C(=O)C6CCOCC6)C5)C4)cc13)C(O)CC2
InChIInChI=1S/C34H32F2N6O3S/c1-40(33-39-28(27(14-37)46-33)19-2-4-21(35)5-3-19)31-23-6-7-26(43)30(23)38-29-24(31)12-22(13-25(29)36)41-15-34(16-41)17-42(18-34)32(44)20-8-10-45-11-9-20/h2-5,12-13,20,26,43H,6-11,15-18H2,1H3
InChIKeyQUGGQJXIHVBDCA-UHFFFAOYSA-N
XLogP5.33
TPSA105.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.73
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile 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 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 175681705) is 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3c(F)cc(N4CC5(CN(C(=O)C6CCOCC6)C5)C4)cc13)C(O)CC2.
What is the InChIKey of 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is QUGGQJXIHVBDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N6O3S/c1-40(33-39-28(27(14-37)46-33)19-2-4-21(35)5-3-19)31-23-6-7-26(43)30(23)38-29-24(31)12-22(13-25(29)36)41-15-34(16-41)17-42(18-34)32(44)20-8-10-45-11-9-20/h2-5,12-13,20,26,43H,6-11,15-18H2,1H3.
What are the key properties of 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 642.73 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-3-hydroxy-7-[2-(oxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 175681705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).