2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C29H40N4O3 — CID 26232763

IUPAC2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(c(C(=O)N3CCC(O)CC3)nn2CCCc2ccccc2)C1
InChIInChI=1S/C29H40N4O3/c34-24-13-17-31(18-14-24)29(36)28-25-21-32(27(35)20-23-10-5-2-6-11-23)19-15-26(25)33(30-28)16-7-12-22-8-3-1-4-9-22/h1,3-4,8-9,23-24,34H,2,5-7,10-21H2
InChIKeyOPWQCOYLTMXAAS-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.97
Rot. Bonds7

About 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 26232763) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID26232763
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(c(C(=O)N3CCC(O)CC3)nn2CCCc2ccccc2)C1
InChIInChI=1S/C29H40N4O3/c34-24-13-17-31(18-14-24)29(36)28-25-21-32(27(35)20-23-10-5-2-6-11-23)19-15-26(25)33(30-28)16-7-12-22-8-3-1-4-9-22/h1,3-4,8-9,23-24,34H,2,5-7,10-21H2
InChIKeyOPWQCOYLTMXAAS-UHFFFAOYSA-N
XLogP3.97
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26225945
1-[5-(2-cyclopentylacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-1,4-diazepan-5-one
CID 26227545
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26221640
[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26133918
(4-hydroxypiperidin-1-yl)-[1-(3-phenylpropyl)-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26133105
[5-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 26133897
(2R)-1-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 26138972
morpholin-4-yl-[5-(oxan-4-yl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26213976
(2-methylpyrazol-3-yl)-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26222128
5-[(3S)-oxolane-3-carbonyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190815
1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26213803

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 26232763) is 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is O=C(CC1CCCCC1)N1CCc2c(c(C(=O)N3CCC(O)CC3)nn2CCCc2ccccc2)C1.
What is the InChIKey of 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is OPWQCOYLTMXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c34-24-13-17-31(18-14-24)29(36)28-25-21-32(27(35)20-23-10-5-2-6-11-23)19-15-26(25)33(30-28)16-7-12-22-8-3-1-4-9-22/h1,3-4,8-9,23-24,34H,2,5-7,10-21H2.
What are the key properties of 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 492.66 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 26232763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).