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

C23H26N4O2 — CID 121383110

IUPAC1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)O)c4)cc3)nn2C)C1
InChIInChI=1S/C23H26N4O2/c1-15(28)18-5-4-6-19(13-18)17-7-9-20(10-8-17)24-23-21-14-27(16(2)29)12-11-22(21)26(3)25-23/h4-10,13,15,28H,11-12,14H2,1-3H3,(H,24,25)
InChIKeyJSJKVONOIKVHOX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.79
Rot. Bonds4

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

1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121383110) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121383110
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)O)c4)cc3)nn2C)C1
InChIInChI=1S/C23H26N4O2/c1-15(28)18-5-4-6-19(13-18)17-7-9-20(10-8-17)24-23-21-14-27(16(2)29)12-11-22(21)26(3)25-23/h4-10,13,15,28H,11-12,14H2,1-3H3,(H,24,25)
InChIKeyJSJKVONOIKVHOX-UHFFFAOYSA-N
XLogP3.79
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121383110) is 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)O)c4)cc3)nn2C)C1.
What is the InChIKey of 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is JSJKVONOIKVHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(28)18-5-4-6-19(13-18)17-7-9-20(10-8-17)24-23-21-14-27(16(2)29)12-11-22(21)26(3)25-23/h4-10,13,15,28H,11-12,14H2,1-3H3,(H,24,25).
What are the key properties of 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(1-hydroxyethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121383110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).