1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C22H23N3O3 — CID 121435105

IUPAC1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2nn(CCO)c(-c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O3/c26-14-13-25-22(17-7-3-1-4-8-17)19-15-24(12-11-20(19)23-25)21(27)16-28-18-9-5-2-6-10-18/h1-10,26H,11-16H2
InChIKeyWYMXQZXNVRKUHB-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.51
Rot. Bonds6

About 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 121435105) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
PubChem CID121435105
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCc2nn(CCO)c(-c3ccccc3)c2C1
InChIInChI=1S/C22H23N3O3/c26-14-13-25-22(17-7-3-1-4-8-17)19-15-24(12-11-20(19)23-25)21(27)16-28-18-9-5-2-6-10-18/h1-10,26H,11-16H2
InChIKeyWYMXQZXNVRKUHB-UHFFFAOYSA-N
XLogP2.51
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-phenoxyethanone;1-(2-ethyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-phenoxyethanone;1-(1-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-phenoxyethanone;1-(2-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-2-phenoxyethanone;2-phenoxy-1-(3-phenyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 159052266
3-bromoprop-1-ene;methanol;2-phenoxy-1-(3-phenyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-2-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone;2-phenoxy-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 162201431
[5-(2-phenoxyacetyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] hypoiodite
CID 145116781
1-[1-(2-hydroxyethyl)-3-phenyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]-2-phenoxyethanone
CID 140909739
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
CID 71837214
1-(4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-2-phenoxyethanone
CID 97404764
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
CID 110867092
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
1-[4-(dimethylamino)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenoxyethanone
CID 42855724
2-(4-chlorophenoxy)-1-[4-[methyl(propyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 42787821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 121435105) is 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCc2nn(CCO)c(-c3ccccc3)c2C1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
The InChIKey is WYMXQZXNVRKUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-14-13-25-22(17-7-3-1-4-8-17)19-15-24(12-11-20(19)23-25)21(27)16-28-18-9-5-2-6-10-18/h1-10,26H,11-16H2.
What are the key properties of 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?
1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 377.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 121435105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).