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

C26H27F3N8O — CID 168800099

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

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 168800099) has the molecular formula C26H27F3N8O and a molecular weight of 524.55 g/mol. Its IUPAC name is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 168800099
• Molecular Formula: C26H27F3N8O
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.23
• IUPAC Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCn1nc(-c2c(OC)ncnc2C2CC2)c2c1CCN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)C2
• InChI: InChI=1S/C26H27F3N8O/c1-4-37-18-9-10-36(20-8-7-16(11-30-20)24-33-19(13-35(24)2)26(27,28)29)12-17(18)23(34-37)21-22(15-5-6-15)31-14-32-25(21)38-3/h7-8,11,13-15H,4-6,9-10,12H2,1-3H3
• InChIKey: PLDWSNDWVVFLQK-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 86.78 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	4.62
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 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 168800099) is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-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 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-5-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCn1nc(-c2c(OC)ncnc2C2CC2)c2c1CCN(c1ccc(-c3nc(C(F)(F)F)cn3C)cn1)C2.

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

The InChIKey is PLDWSNDWVVFLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N8O/c1-4-37-18-9-10-36(20-8-7-16(11-30-20)24-33-19(13-35(24)2)26(27,28)29)12-17(18)23(34-37)21-22(15-5-6-15)31-14-32-25(21)38-3/h7-8,11,13-15H,4-6,9-10,12H2,1-3H3.

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

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-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 524.55 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-ethyl-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 168800099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).