(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

C25H31N5O2S — CID 26133105

IUPAC(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
SMILESO=C(c1nn(CCCc2ccccc2)c2c1CN(Cc1nccs1)CC2)N1CCC(O)CC1
InChIInChI=1S/C25H31N5O2S/c31-20-8-14-29(15-9-20)25(32)24-21-17-28(18-23-26-11-16-33-23)13-10-22(21)30(27-24)12-4-7-19-5-2-1-3-6-19/h1-3,5-6,11,16,20,31H,4,7-10,12-15,17-18H2
InChIKeyMMZGBCMWBANCSF-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.13
Rot. Bonds7

About (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

(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 (PubChem CID 26133105) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID26133105
Molecular FormulaC25H31N5O2S
Molecular Weight465.62 g/mol
Exact Mass465.22
IUPAC Name(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
SMILESO=C(c1nn(CCCc2ccccc2)c2c1CN(Cc1nccs1)CC2)N1CCC(O)CC1
InChIInChI=1S/C25H31N5O2S/c31-20-8-14-29(15-9-20)25(32)24-21-17-28(18-23-26-11-16-33-23)13-10-22(21)30(27-24)12-4-7-19-5-2-1-3-6-19/h1-3,5-6,11,16,20,31H,4,7-10,12-15,17-18H2
InChIKeyMMZGBCMWBANCSF-UHFFFAOYSA-N
XLogP3.13
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389
[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
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
ethyl 5-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26229785
(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
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
(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
[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(c1nn(CCCc2ccccc2)c2c1CN(Cc1nccs1)CC2)N1CCC(O)CC1.
What is the InChIKey of (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?
The InChIKey is MMZGBCMWBANCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c31-20-8-14-29(15-9-20)25(32)24-21-17-28(18-23-26-11-16-33-23)13-10-22(21)30(27-24)12-4-7-19-5-2-1-3-6-19/h1-3,5-6,11,16,20,31H,4,7-10,12-15,17-18H2.
What are the key properties of (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?
(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 has a molecular weight of 465.62 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 26133105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).