(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

C29H36N4O2 — CID 26215389

IUPAC(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(CCc2ccccc2)c2c1CN(CCCc1ccccc1)CC2)N1CCC(O)CC1
InChIInChI=1S/C29H36N4O2/c34-25-14-19-32(20-15-25)29(35)28-26-22-31(17-7-12-23-8-3-1-4-9-23)18-16-27(26)33(30-28)21-13-24-10-5-2-6-11-24/h1-6,8-11,25,34H,7,12-22H2
InChIKeyAZZUBLGSGVXWCB-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.71
Rot. Bonds8

About (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 26215389) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
PubChem CID26215389
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESO=C(c1nn(CCc2ccccc2)c2c1CN(CCCc1ccccc1)CC2)N1CCC(O)CC1
InChIInChI=1S/C29H36N4O2/c34-25-14-19-32(20-15-25)29(35)28-26-22-31(17-7-12-23-8-3-1-4-9-23)18-16-27(26)33(30-28)21-13-24-10-5-2-6-11-24/h1-6,8-11,25,34H,7,12-22H2
InChIKeyAZZUBLGSGVXWCB-UHFFFAOYSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
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
(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
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
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
2,2-dimethyl-1-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26137509
[(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
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
(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

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (CID 26215389) is (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is O=C(c1nn(CCc2ccccc2)c2c1CN(CCCc1ccccc1)CC2)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
The InChIKey is AZZUBLGSGVXWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c34-25-14-19-32(20-15-25)29(35)28-26-22-31(17-7-12-23-8-3-1-4-9-23)18-16-27(26)33(30-28)21-13-24-10-5-2-6-11-24/h1-6,8-11,25,34H,7,12-22H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 472.63 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 26215389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).