3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane

C28H32F3N7O — CID 171530603

About 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (PubChem CID 171530603) has the molecular formula C28H32F3N7O and a molecular weight of 539.61 g/mol. Its IUPAC name is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.

Molecular Properties

• Compound Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
• PubChem CID: 171530603
• Molecular Formula: C28H32F3N7O
• Molecular Weight: 539.61 g/mol
• Exact Mass: 539.26
• IUPAC Name: 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
• SMILES: CC.COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-n3nc(C(F)(F)F)cc3C)cc1)CC2
• InChI: InChI=1S/C26H26F3N7O.C2H6/c1-15-12-21(26(27,28)29)32-36(15)18-8-6-17(7-9-18)35-11-10-20-19(13-35)24(33-34(20)2)22-23(16-4-5-16)30-14-31-25(22)37-3;1-2/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3;1-2H3
• InChIKey: QFXJLISLCZYKGS-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 73.89 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.61
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane (CID 171530603) is 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane.

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

The canonical SMILES for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is CC.COc1ncnc(C2CC2)c1-c1nn(C)c2c1CN(c1ccc(-n3nc(C(F)(F)F)cc3C)cc1)CC2.

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

The InChIKey is QFXJLISLCZYKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O.C2H6/c1-15-12-21(26(27,28)29)32-36(15)18-8-6-17(7-9-18)35-11-10-20-19(13-35)24(33-34(20)2)22-23(16-4-5-16)30-14-31-25(22)37-3;1-2/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3;1-2H3.

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

3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane has a molecular weight of 539.61 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-methyl-5-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane is sourced from PubChem (CID 171530603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).