5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine

C22H26F3N3O2 — CID 11235516

IUPAC5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
SMILESCCc1cc2c(C(CC)CC)nn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C22H26F3N3O2/c1-6-13(7-2)20-17-11-14(8-3)19(26-21(17)28(4)27-20)16-10-9-15(12-18(16)29-5)30-22(23,24)25/h9-13H,6-8H2,1-5H3
InChIKeyYTCLZHORLMANMB-UHFFFAOYSA-N
MW421.46 g/mol
LogP6.01
Rot. Bonds7

About 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine

5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine (PubChem CID 11235516) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
PubChem CID11235516
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine
SMILESCCc1cc2c(C(CC)CC)nn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC
InChIInChI=1S/C22H26F3N3O2/c1-6-13(7-2)20-17-11-14(8-3)19(26-21(17)28(4)27-20)16-10-9-15(12-18(16)29-5)30-22(23,24)25/h9-13H,6-8H2,1-5H3
InChIKeyYTCLZHORLMANMB-UHFFFAOYSA-N
XLogP6.01
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine (CID 11235516) is 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine is CCc1cc2c(C(CC)CC)nn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC.
What is the InChIKey of 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
The InChIKey is YTCLZHORLMANMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-6-13(7-2)20-17-11-14(8-3)19(26-21(17)28(4)27-20)16-10-9-15(12-18(16)29-5)30-22(23,24)25/h9-13H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine?
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine has a molecular weight of 421.46 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-1-methyl-3-pentan-3-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 11235516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).