5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine

C24H28FN7S — CID 164709711

About 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine

5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine (PubChem CID 164709711) has the molecular formula C24H28FN7S and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine
• PubChem CID: 164709711
• Molecular Formula: C24H28FN7S
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.21
• IUPAC Name: 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine
• SMILES: Cc1c(-c2nc(Nc3ccc(C4CCCN(C)C4)cn3)ncc2F)sc2c1ncn2C(C)C
• InChI: InChI=1S/C24H28FN7S/c1-14(2)32-13-28-20-15(3)22(33-23(20)32)21-18(25)11-27-24(30-21)29-19-8-7-16(10-26-19)17-6-5-9-31(4)12-17/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3,(H,26,27,29,30)
• InChIKey: FTGCLYSKWFDLBJ-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?

The IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine (CID 164709711) is 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine.

What is the SMILES notation for 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?

The canonical SMILES for 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(C4CCCN(C)C4)cn3)ncc2F)sc2c1ncn2C(C)C.

What is the InChIKey of 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?

The InChIKey is FTGCLYSKWFDLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7S/c1-14(2)32-13-28-20-15(3)22(33-23(20)32)21-18(25)11-27-24(30-21)29-19-8-7-16(10-26-19)17-6-5-9-31(4)12-17/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3,(H,26,27,29,30).

What are the key properties of 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine?

5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine has a molecular weight of 465.60 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[5-(1-methylpiperidin-3-yl)-2-pyridinyl]-4-(6-methyl-3-propan-2-ylthieno[2,3-d]imidazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 164709711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).