3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

C29H39FN8OS — CID 130203825

About 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide

3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 130203825) has the molecular formula C29H39FN8OS and a molecular weight of 566.75 g/mol. Its IUPAC name is 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 130203825
• Molecular Formula: C29H39FN8OS
• Molecular Weight: 566.75 g/mol
• Exact Mass: 566.30
• IUPAC Name: 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide
• SMILES: CN1CCC(N2CCN(c3cnc(Nc4ncc5sc(C(=O)N(C)C)c(C6CCCC6)c5c4F)nc3)CC2)CC1
• InChI: InChI=1S/C29H39FN8OS/c1-35(2)28(39)26-23(19-6-4-5-7-19)24-22(40-26)18-31-27(25(24)30)34-29-32-16-21(17-33-29)38-14-12-37(13-15-38)20-8-10-36(3)11-9-20/h16-20H,4-15H2,1-3H3,(H,31,32,33,34)
• InChIKey: SDLGACOCXYINER-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 80.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.75
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide (CID 130203825) is 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is CN1CCC(N2CCN(c3cnc(Nc4ncc5sc(C(=O)N(C)C)c(C6CCCC6)c5c4F)nc3)CC2)CC1.

What is the InChIKey of 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is SDLGACOCXYINER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN8OS/c1-35(2)28(39)26-23(19-6-4-5-7-19)24-22(40-26)18-31-27(25(24)30)34-29-32-16-21(17-33-29)38-14-12-37(13-15-38)20-8-10-36(3)11-9-20/h16-20H,4-15H2,1-3H3,(H,31,32,33,34).

What are the key properties of 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide?

3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 566.75 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-4-fluoro-N,N-dimethyl-5-[[5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 130203825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).