methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C20H21FN4O3 — CID 121240853

IUPACmethyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ccc(F)cc3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21FN4O3/c1-28-20(27)17-12-25(11-16-18(17)22-23-19(16)26)15-6-8-24(9-7-15)10-13-2-4-14(21)5-3-13/h2-5,11-12,15H,6-10H2,1H3,(H,23,26)
InChIKeyACZKBXKYELYUMZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.44
Rot. Bonds4

About methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240853) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240853
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Namemethyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ccc(F)cc3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C20H21FN4O3/c1-28-20(27)17-12-25(11-16-18(17)22-23-19(16)26)15-6-8-24(9-7-15)10-13-2-4-14(21)5-3-13/h2-5,11-12,15H,6-10H2,1H3,(H,23,26)
InChIKeyACZKBXKYELYUMZ-UHFFFAOYSA-N
XLogP2.44
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240853) is methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C2CCN(Cc3ccc(F)cc3)CC2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is ACZKBXKYELYUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-20(27)17-12-25(11-16-18(17)22-23-19(16)26)15-6-8-24(9-7-15)10-13-2-4-14(21)5-3-13/h2-5,11-12,15H,6-10H2,1H3,(H,23,26).
What are the key properties of methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).