tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

C20H26FN3O2 — CID 130214332

IUPACtert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H26FN3O2/c1-5-17-16-10-11-23(19(25)26-20(2,3)4)13-18(16)24(22-17)12-14-6-8-15(21)9-7-14/h6-9H,5,10-13H2,1-4H3
InChIKeyAHFYDLZYVRFUQM-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 130214332) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID130214332
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Nametert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H26FN3O2/c1-5-17-16-10-11-23(19(25)26-20(2,3)4)13-18(16)24(22-17)12-14-6-8-15(21)9-7-14/h6-9H,5,10-13H2,1-4H3
InChIKeyAHFYDLZYVRFUQM-UHFFFAOYSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (CID 130214332) is tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is CCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is AHFYDLZYVRFUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-5-17-16-10-11-23(19(25)26-20(2,3)4)13-18(16)24(22-17)12-14-6-8-15(21)9-7-14/h6-9H,5,10-13H2,1-4H3.
What are the key properties of tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 359.45 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethyl-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 130214332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).