1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H22ClN3O2 — CID 71533079

IUPAC1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(Cn2nc(-c3cccc(Cl)c3)c3c2CCN(C(C)=O)C3)c1
InChIInChI=1S/C22H22ClN3O2/c1-15(27)25-10-9-21-20(14-25)22(17-6-4-7-18(23)12-17)24-26(21)13-16-5-3-8-19(11-16)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyPSJXUKRBYYNTCL-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.16
Rot. Bonds4

About 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 71533079) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID71533079
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCOc1cccc(Cn2nc(-c3cccc(Cl)c3)c3c2CCN(C(C)=O)C3)c1
InChIInChI=1S/C22H22ClN3O2/c1-15(27)25-10-9-21-20(14-25)22(17-6-4-7-18(23)12-17)24-26(21)13-16-5-3-8-19(11-16)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyPSJXUKRBYYNTCL-UHFFFAOYSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 70692165
1-(3-(4-Chloro-phenyl)-1-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone
CID 10208282
1-(3-(4-Chloro-phenyl)-1-{2-hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-ethanone
CID 10208398
1-[1-[(2,4-difluorophenyl)methyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71532978
1-[1-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533024
1-[1-[1-(4-fluorophenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533026
1-[1-[(2,4-difluorophenyl)methyl]-3-(4-fluoro-3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533027
US11597728, Example 157
CID 168058554
N-[3-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-N-hydroxy-acetamide
CID 44370742
2-(3-Methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814124
2-(4-chlorophenyl)-5-[2-(3-methoxyphenyl)ethyl]-7H-pyrazolo[1,5-a]pyrazine-4,6-dione
CID 57397714
1-[1-[(2,4-difluorophenyl)methyl]-3-(2-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 71533081

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 71533079) is 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is COc1cccc(Cn2nc(-c3cccc(Cl)c3)c3c2CCN(C(C)=O)C3)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is PSJXUKRBYYNTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15(27)25-10-9-21-20(14-25)22(17-6-4-7-18(23)12-17)24-26(21)13-16-5-3-8-19(11-16)28-2/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 395.89 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 71533079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).