2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C29H28F3N7O — CID 137353322

About 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 137353322) has the molecular formula C29H28F3N7O and a molecular weight of 547.59 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

• Compound Name: 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• PubChem CID: 137353322
• Molecular Formula: C29H28F3N7O
• Molecular Weight: 547.59 g/mol
• Exact Mass: 547.23
• IUPAC Name: 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2
• InChI: InChI=1S/C29H28F3N7O/c1-4-17-7-6-8-18(5-2)26(17)39-27(20-9-10-24(40-3)25-21(20)15-35-36-25)22-16-38(12-11-23(22)37-39)28-33-13-19(14-34-28)29(30,31)32/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,35,36)
• InChIKey: KICZVBFIYGNORH-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 84.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.59
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The IUPAC name of 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 137353322) is 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

What is the SMILES notation for 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The canonical SMILES for 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(OC)c3[nH]ncc13)CN(c1ncc(C(F)(F)F)cn1)CC2.

What is the InChIKey of 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

The InChIKey is KICZVBFIYGNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N7O/c1-4-17-7-6-8-18(5-2)26(17)39-27(20-9-10-24(40-3)25-21(20)15-35-36-25)22-16-38(12-11-23(22)37-39)28-33-13-19(14-34-28)29(30,31)32/h6-10,13-15H,4-5,11-12,16H2,1-3H3,(H,35,36).

What are the key properties of 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?

2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 547.59 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diethylphenyl)-3-(7-methoxy-1H-indazol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 137353322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).