6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]

C26H27N7 — CID 175825715

About 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]

6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane] (PubChem CID 175825715) has the molecular formula C26H27N7 and a molecular weight of 438.56 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane].

Molecular Properties

• Compound Name: 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]
• PubChem CID: 175825715
• Molecular Formula: C26H27N7
• Molecular Weight: 438.56 g/mol
• Exact Mass: 438.24
• IUPAC Name: 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]
• SMILES: [2H]C1c2cc(-n3cnc(C4CC4)c3)ccc2C2(CC2)N1c1cccc(-c2nncn2C(C)C)n1
• InChI: InChI=1S/C26H27N7/c1-17(2)32-16-28-30-25(32)22-4-3-5-24(29-22)33-13-19-12-20(8-9-21(19)26(33)10-11-26)31-14-23(27-15-31)18-6-7-18/h3-5,8-9,12,14-18H,6-7,10-11,13H2,1-2H3/i13D
• InChIKey: ATXNQGMXSKEYEX-YSOHJTORSA-N
• XLogP: 4.99
• TPSA: 64.66 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.56
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]?

The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane] (CID 175825715) is 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane].

What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]?

The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane] is [2H]C1c2cc(-n3cnc(C4CC4)c3)ccc2C2(CC2)N1c1cccc(-c2nncn2C(C)C)n1.

What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]?

The InChIKey is ATXNQGMXSKEYEX-YSOHJTORSA-N. The full InChI is InChI=1S/C26H27N7/c1-17(2)32-16-28-30-25(32)22-4-3-5-24(29-22)33-13-19-12-20(8-9-21(19)26(33)10-11-26)31-14-23(27-15-31)18-6-7-18/h3-5,8-9,12,14-18H,6-7,10-11,13H2,1-2H3/i13D.

What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]?

6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane] has a molecular weight of 438.56 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane] is sourced from PubChem (CID 175825715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).