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

C21H24N4O4 — CID 121240257

IUPACmethyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C21H24N4O4/c1-28-16-5-3-14(4-6-16)11-24-9-7-15(8-10-24)25-12-17-19(22-23-20(17)26)18(13-25)21(27)29-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,23,26)
InChIKeyWUTPIRZSRWRVQB-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.31
Rot. Bonds5

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

methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240257) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240257
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Namemethyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C21H24N4O4/c1-28-16-5-3-14(4-6-16)11-24-9-7-15(8-10-24)25-12-17-19(22-23-20(17)26)18(13-25)21(27)29-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,23,26)
InChIKeyWUTPIRZSRWRVQB-UHFFFAOYSA-N
XLogP2.31
TPSA89.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 121241089
methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
CID 124878924
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]azepan-2-one
CID 134794419
5-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 154793920
[1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25455222
1-[[4-(4-methoxyphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 75504045
methyl 7-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-4-oxo-1H-quinoline-3-carboxylate
CID 135126791
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240257) is methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is WUTPIRZSRWRVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-28-16-5-3-14(4-6-16)11-24-9-7-15(8-10-24)25-12-17-19(22-23-20(17)26)18(13-25)21(27)29-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,23,26).
What are the key properties of methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).