6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C23H24F3N7 — CID 2123516

IUPAC6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(CCc2nn[nH]n2)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H24F3N7/c1-14-21-18(23(24,25)26)13-19(17-9-7-16(8-10-17)15-5-3-2-4-6-15)27-22(21)33(30-14)12-11-20-28-31-32-29-20/h7-10,13,15H,2-6,11-12H2,1H3,(H,28,29,31,32)
InChIKeyWBBFHCPJBLVPHP-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.23
Rot. Bonds5

About 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 2123516) has the molecular formula C23H24F3N7 and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID2123516
Molecular FormulaC23H24F3N7
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(CCc2nn[nH]n2)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C23H24F3N7/c1-14-21-18(23(24,25)26)13-19(17-9-7-16(8-10-17)15-5-3-2-4-6-15)27-22(21)33(30-14)12-11-20-28-31-32-29-20/h7-10,13,15H,2-6,11-12H2,1H3,(H,28,29,31,32)
InChIKeyWBBFHCPJBLVPHP-UHFFFAOYSA-N
XLogP5.23
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 2123516) is 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(CCc2nn[nH]n2)c2nc(-c3ccc(C4CCCCC4)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WBBFHCPJBLVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7/c1-14-21-18(23(24,25)26)13-19(17-9-7-16(8-10-17)15-5-3-2-4-6-15)27-22(21)33(30-14)12-11-20-28-31-32-29-20/h7-10,13,15H,2-6,11-12H2,1H3,(H,28,29,31,32).
What are the key properties of 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 455.49 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 2123516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).