2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

C29H34FN7OS — CID 164709751

About 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (PubChem CID 164709751) has the molecular formula C29H34FN7OS and a molecular weight of 547.70 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
• PubChem CID: 164709751
• Molecular Formula: C29H34FN7OS
• Molecular Weight: 547.70 g/mol
• Exact Mass: 547.25
• IUPAC Name: 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
• SMILES: Cc1c(-c2nc(Nc3ccc(N4CC5(CCN(C)CC5)C4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12
• InChI: InChI=1S/C29H34FN7OS/c1-17(2)20-14-36(5)27(38)23-18(3)25(39-26(20)23)24-21(30)13-32-28(34-24)33-22-7-6-19(12-31-22)37-15-29(16-37)8-10-35(4)11-9-29/h6-7,12-14,17H,8-11,15-16H2,1-5H3,(H,31,32,33,34)
• InChIKey: XSVQAZXEKBMWGS-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.70
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?

The IUPAC name of 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (CID 164709751) is 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one.

What is the SMILES notation for 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?

The canonical SMILES for 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is Cc1c(-c2nc(Nc3ccc(N4CC5(CCN(C)CC5)C4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12.

What is the InChIKey of 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?

The InChIKey is XSVQAZXEKBMWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7OS/c1-17(2)20-14-36(5)27(38)23-18(3)25(39-26(20)23)24-21(30)13-32-28(34-24)33-22-7-6-19(12-31-22)37-15-29(16-37)8-10-35(4)11-9-29/h6-7,12-14,17H,8-11,15-16H2,1-5H3,(H,31,32,33,34).

What are the key properties of 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?

2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one has a molecular weight of 547.70 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-2-[[5-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 164709751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).