4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine

C27H33FN8OS — CID 175930054

About 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine

4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine (PubChem CID 175930054) has the molecular formula C27H33FN8OS and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine
• PubChem CID: 175930054
• Molecular Formula: C27H33FN8OS
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.25
• IUPAC Name: 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine
• SMILES: CCN1CC2(C1)CN(c1ccc(-c3nc(N)nc(-c4sc5c(C(C)(C)OC)n(C)nc5c4C)c3F)nc1)C2
• InChI: InChI=1S/C27H33FN8OS/c1-7-35-11-27(12-35)13-36(14-27)16-8-9-17(30-10-16)20-18(28)21(32-25(29)31-20)22-15(2)19-23(38-22)24(34(5)33-19)26(3,4)37-6/h8-10H,7,11-14H2,1-6H3,(H2,29,31,32)
• InChIKey: GXTLKASFBSRYDD-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 98.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine?

The IUPAC name of 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine (CID 175930054) is 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine is CCN1CC2(C1)CN(c1ccc(-c3nc(N)nc(-c4sc5c(C(C)(C)OC)n(C)nc5c4C)c3F)nc1)C2.

What is the InChIKey of 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine?

The InChIKey is GXTLKASFBSRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN8OS/c1-7-35-11-27(12-35)13-36(14-27)16-8-9-17(30-10-16)20-18(28)21(32-25(29)31-20)22-15(2)19-23(38-22)24(34(5)33-19)26(3,4)37-6/h8-10H,7,11-14H2,1-6H3,(H2,29,31,32).

What are the key properties of 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine?

4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine has a molecular weight of 536.68 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoro-6-[3-(2-methoxypropan-2-yl)-2,6-dimethylthieno[3,2-c]pyrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 175930054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).