ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate

C24H33N5O4 — CID 26232987

IUPACethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)CC1
InChIInChI=1S/C24H33N5O4/c1-2-33-24(32)27-11-8-19(9-12-27)28-13-10-21-20(17-28)22(26-29(21)14-15-30)23(31)25-16-18-6-4-3-5-7-18/h3-7,19,30H,2,8-17H2,1H3,(H,25,31)
InChIKeyHYHTWWXLECXUBF-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.78
Rot. Bonds7

About ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate

ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (PubChem CID 26232987) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
PubChem CID26232987
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Nameethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)CC1
InChIInChI=1S/C24H33N5O4/c1-2-33-24(32)27-11-8-19(9-12-27)28-13-10-21-20(17-28)22(26-29(21)14-15-30)23(31)25-16-18-6-4-3-5-7-18/h3-7,19,30H,2,8-17H2,1H3,(H,25,31)
InChIKeyHYHTWWXLECXUBF-UHFFFAOYSA-N
XLogP1.78
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-benzyl-5-cyclopentyl-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229751
ethyl 1-benzyl-5-(1-ethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220369
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157
ethyl 4-[1-(cyclopropylmethyl)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 26136364
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162767
ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
CID 56855713
N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26135350
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
N-benzyl-1-(2-hydroxyethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 28811586
ethyl 4-[1-[4-[2-(benzylamino)-2-oxoethyl]phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 26335358

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate (CID 26232987) is ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCc3c(c(C(=O)NCc4ccccc4)nn3CCO)C2)CC1.
What is the InChIKey of ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
The InChIKey is HYHTWWXLECXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-2-33-24(32)27-11-8-19(9-12-27)28-13-10-21-20(17-28)22(26-29(21)14-15-30)23(31)25-16-18-6-4-3-5-7-18/h3-7,19,30H,2,8-17H2,1H3,(H,25,31).
What are the key properties of ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate?
ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate has a molecular weight of 455.56 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(benzylcarbamoyl)-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 26232987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).