7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine

C26H38N8O2S — CID 155060977

About 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine

7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine (PubChem CID 155060977) has the molecular formula C26H38N8O2S and a molecular weight of 526.71 g/mol. Its IUPAC name is 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine.

Molecular Properties

• Compound Name: 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine
• PubChem CID: 155060977
• Molecular Formula: C26H38N8O2S
• Molecular Weight: 526.71 g/mol
• Exact Mass: 526.28
• IUPAC Name: 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine
• SMILES: CCN1CC(n2cc(S(=O)(=O)N3CCC(Nc4ncc5c(n4)N(C(C)C4CC4)CC54CC4)CC3)cn2)C1
• InChI: InChI=1S/C26H38N8O2S/c1-3-31-14-21(15-31)34-16-22(12-28-34)37(35,36)32-10-6-20(7-11-32)29-25-27-13-23-24(30-25)33(17-26(23)8-9-26)18(2)19-4-5-19/h12-13,16,18-21H,3-11,14-15,17H2,1-2H3,(H,27,29,30)
• InChIKey: HZMOICJBRUFRLD-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 99.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.71
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine?

The IUPAC name of 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine (CID 155060977) is 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine.

What is the SMILES notation for 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine?

The canonical SMILES for 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine is CCN1CC(n2cc(S(=O)(=O)N3CCC(Nc4ncc5c(n4)N(C(C)C4CC4)CC54CC4)CC3)cn2)C1.

What is the InChIKey of 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine?

The InChIKey is HZMOICJBRUFRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N8O2S/c1-3-31-14-21(15-31)34-16-22(12-28-34)37(35,36)32-10-6-20(7-11-32)29-25-27-13-23-24(30-25)33(17-26(23)8-9-26)18(2)19-4-5-19/h12-13,16,18-21H,3-11,14-15,17H2,1-2H3,(H,27,29,30).

What are the key properties of 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine?

7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine has a molecular weight of 526.71 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-cyclopropylethyl)-N-[1-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]sulfonylpiperidin-4-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-2-amine is sourced from PubChem (CID 155060977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).