1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C27H27F3N8O — CID 171530599

About 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 171530599) has the molecular formula C27H27F3N8O and a molecular weight of 536.56 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 171530599
• Molecular Formula: C27H27F3N8O
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.23
• IUPAC Name: 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: COc1ncnc(C2CC2)c1-c1nn(C2CC2)c2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CC2
• InChI: InChI=1S/C27H27F3N8O/c1-36-13-20(27(28,29)30)34-25(36)16-5-8-21(31-11-16)37-10-9-19-18(12-37)24(35-38(19)17-6-7-17)22-23(15-3-4-15)32-14-33-26(22)39-2/h5,8,11,13-15,17H,3-4,6-7,9-10,12H2,1-2H3
• InChIKey: RBGRJOIIOSEUPS-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 86.78 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 171530599) is 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is COc1ncnc(C2CC2)c1-c1nn(C2CC2)c2c1CN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)CC2.

What is the InChIKey of 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is RBGRJOIIOSEUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N8O/c1-36-13-20(27(28,29)30)34-25(36)16-5-8-21(31-11-16)37-10-9-19-18(12-37)24(35-38(19)17-6-7-17)22-23(15-3-4-15)32-14-33-26(22)39-2/h5,8,11,13-15,17H,3-4,6-7,9-10,12H2,1-2H3.

What are the key properties of 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 536.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 171530599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).