2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H29F2N7O3S — CID 175681656

About 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 175681656) has the molecular formula C32H29F2N7O3S and a molecular weight of 629.69 g/mol. Its IUPAC name is 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 175681656
• Molecular Formula: C32H29F2N7O3S
• Molecular Weight: 629.69 g/mol
• Exact Mass: 629.20
• IUPAC Name: 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3c(F)cc(N4CC5(CN(CC(=O)N6CC(O)C6)C5)C4)cc13)CCO2
• InChI: InChI=1S/C32H29F2N7O3S/c1-38(31-37-27(25(10-35)45-31)18-2-4-19(33)5-3-18)29-22-8-20(9-23(34)28(22)36-24-6-7-44-30(24)29)41-16-32(17-41)14-39(15-32)13-26(43)40-11-21(42)12-40/h2-5,8-9,21,42H,6-7,11-17H2,1H3
• InChIKey: GAXSTDRXHNQYSA-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 109.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.69
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 175681656) is 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-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(CC(=O)N6CC(O)C6)C5)C4)cc13)CCO2.

What is the InChIKey of 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is GAXSTDRXHNQYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N7O3S/c1-38(31-37-27(25(10-35)45-31)18-2-4-19(33)5-3-18)29-22-8-20(9-23(34)28(22)36-24-6-7-44-30(24)29)41-16-32(17-41)14-39(15-32)13-26(43)40-11-21(42)12-40/h2-5,8-9,21,42H,6-7,11-17H2,1H3.

What are the key properties of 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 629.69 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-fluoro-7-[6-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2,3-dihydrofuro[3,2-b]quinolin-9-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 175681656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).