[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

C25H28N4O3 — CID 26234223

IUPAC[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(O)cc1)CC2)N1CCOCC1
InChIInChI=1S/C25H28N4O3/c30-21-8-6-20(7-9-21)16-27-11-10-23-22(18-27)24(25(31)28-12-14-32-15-13-28)26-29(23)17-19-4-2-1-3-5-19/h1-9,30H,10-18H2
InChIKeyJBLBUULTXPMBLT-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.67
Rot. Bonds5

About [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 26234223) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID26234223
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(O)cc1)CC2)N1CCOCC1
InChIInChI=1S/C25H28N4O3/c30-21-8-6-20(7-9-21)16-27-11-10-23-22(18-27)24(25(31)28-12-14-32-15-13-28)26-29(23)17-19-4-2-1-3-5-19/h1-9,30H,10-18H2
InChIKeyJBLBUULTXPMBLT-UHFFFAOYSA-N
XLogP2.67
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26226175
[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26140975
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26147078
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26135160
1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 26221338
morpholin-4-yl-[5-(oxan-4-yl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26213976
2,2-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
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
4-[1-benzyl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 26141606
[5-[(3-hydroxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 45165289
ethyl 5-[(4-acetamidophenyl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143774

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (CID 26234223) is [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1ccc(O)cc1)CC2)N1CCOCC1.
What is the InChIKey of [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is JBLBUULTXPMBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-21-8-6-20(7-9-21)16-27-11-10-23-22(18-27)24(25(31)28-12-14-32-15-13-28)26-29(23)17-19-4-2-1-3-5-19/h1-9,30H,10-18H2.
What are the key properties of [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 432.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26234223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).