2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one

C30H35FN6O2S — CID 164709802

About 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (PubChem CID 164709802) has the molecular formula C30H35FN6O2S and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
• PubChem CID: 164709802
• Molecular Formula: C30H35FN6O2S
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.25
• IUPAC Name: 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
• SMILES: Cc1c(-c2nc(Nc3ccc(C4CCN(C5CCOC5)CC4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12
• InChI: InChI=1S/C30H35FN6O2S/c1-17(2)22-15-36(4)29(38)25-18(3)27(40-28(22)25)26-23(31)14-33-30(35-26)34-24-6-5-20(13-32-24)19-7-10-37(11-8-19)21-9-12-39-16-21/h5-6,13-15,17,19,21H,7-12,16H2,1-4H3,(H,32,33,34,35)
• InChIKey: FIONNTHRCUKKLM-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one (CID 164709802) is 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one is Cc1c(-c2nc(Nc3ccc(C4CCN(C5CCOC5)CC4)cn3)ncc2F)sc2c(C(C)C)cn(C)c(=O)c12.

What is the InChIKey of 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one?

The InChIKey is FIONNTHRCUKKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O2S/c1-17(2)22-15-36(4)29(38)25-18(3)27(40-28(22)25)26-23(31)14-33-30(35-26)34-24-6-5-20(13-32-24)19-7-10-37(11-8-19)21-9-12-39-16-21/h5-6,13-15,17,19,21H,7-12,16H2,1-4H3,(H,32,33,34,35).

What are the key properties of 2-[5-fluoro-2-[[5-[1-(oxolan-3-yl)piperidin-4-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-[1-(oxolan-3-yl)piperidin-4-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 562.72 g/mol, XLogP of 5.73, 6 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-[1-(oxolan-3-yl)piperidin-4-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 164709802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).