2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one

C28H32FN7OS — CID 164928380

About 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one

2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one (PubChem CID 164928380) has the molecular formula C28H32FN7OS and a molecular weight of 533.68 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

Molecular Properties

• Compound Name: 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
• PubChem CID: 164928380
• Molecular Formula: C28H32FN7OS
• Molecular Weight: 533.68 g/mol
• Exact Mass: 533.24
• IUPAC Name: 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one
• SMILES: Cc1c(-c2nc(Nc3ccc(N4CC5(C4)CN(C(C)C)C5)cn3)ncc2F)sc2c1C(=O)N(C)CC21CC1
• InChI: InChI=1S/C28H32FN7OS/c1-16(2)35-11-27(12-35)13-36(14-27)18-5-6-20(30-9-18)32-26-31-10-19(29)22(33-26)23-17(3)21-24(38-23)28(7-8-28)15-34(4)25(21)37/h5-6,9-10,16H,7-8,11-15H2,1-4H3,(H,30,31,32,33)
• InChIKey: NKVDZOUAGHZYJZ-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.68
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The IUPAC name of 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one (CID 164928380) is 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one.

What is the SMILES notation for 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The canonical SMILES for 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one is Cc1c(-c2nc(Nc3ccc(N4CC5(C4)CN(C(C)C)C5)cn3)ncc2F)sc2c1C(=O)N(C)CC21CC1.

What is the InChIKey of 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

The InChIKey is NKVDZOUAGHZYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN7OS/c1-16(2)35-11-27(12-35)13-36(14-27)18-5-6-20(30-9-18)32-26-31-10-19(29)22(33-26)23-17(3)21-24(38-23)28(7-8-28)15-34(4)25(21)37/h5-6,9-10,16H,7-8,11-15H2,1-4H3,(H,30,31,32,33).

What are the key properties of 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one?

2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one has a molecular weight of 533.68 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-2-[[5-(2-propan-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethylspiro[6H-thieno[3,2-c]pyridine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 164928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).