3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C26H18F3N3 — CID 17026129

IUPAC3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C26H18F3N3/c27-26(28,29)21-15-22(19-13-10-16-6-4-5-7-18(16)14-19)30-25-23(21)24(17-11-12-17)31-32(25)20-8-2-1-3-9-20/h1-10,13-15,17H,11-12H2
InChIKeyKMNCGONZLGCHEN-UHFFFAOYSA-N
MW429.45 g/mol
LogP7.14
Rot. Bonds3

About 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17026129) has the molecular formula C26H18F3N3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17026129
Molecular FormulaC26H18F3N3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Name3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2c1c(C1CC1)nn2-c1ccccc1
InChIInChI=1S/C26H18F3N3/c27-26(28,29)21-15-22(19-13-10-16-6-4-5-7-18(16)14-19)30-25-23(21)24(17-11-12-17)31-32(25)20-8-2-1-3-9-20/h1-10,13-15,17H,11-12H2
InChIKeyKMNCGONZLGCHEN-UHFFFAOYSA-N
XLogP7.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17026129) is 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2c1c(C1CC1)nn2-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is KMNCGONZLGCHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3/c27-26(28,29)21-15-22(19-13-10-16-6-4-5-7-18(16)14-19)30-25-23(21)24(17-11-12-17)31-32(25)20-8-2-1-3-9-20/h1-10,13-15,17H,11-12H2.
What are the key properties of 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 429.45 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17026129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).