1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C24H28N4O2 — CID 121383059

IUPAC1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2C)C1
InChIInChI=1S/C24H28N4O2/c1-16(29)28-13-12-22-21(15-28)23(26-27(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(2,3)30/h5-11,14,30H,12-13,15H2,1-4H3,(H,25,26)
InChIKeyRRMWOPPLBCXCFB-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.96
Rot. Bonds4

About 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121383059) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121383059
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2C)C1
InChIInChI=1S/C24H28N4O2/c1-16(29)28-13-12-22-21(15-28)23(26-27(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(2,3)30/h5-11,14,30H,12-13,15H2,1-4H3,(H,25,26)
InChIKeyRRMWOPPLBCXCFB-UHFFFAOYSA-N
XLogP3.96
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

1-[1-benzyl-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372898
1-[1-(cyclopropylmethyl)-3-(3-phenylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 134135696
(3R)-N-[5-[3-(2-hydroxypropan-2-yl)phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90656981
US9763922, Example 134
CID 121372859
US9763922, Example 133
CID 121372862
US9763922, Example 142
CID 121372865
US9763922, Example 141
CID 121372869
US9763922, Example 136
CID 121372870
US9763922, Example 131
CID 121372871
US9763922, Example 94
CID 121373005
US9763922, Example 97
CID 121373007
US9763922, Example 95
CID 121373008

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121383059) is 1-[3-[4-[3-(2-hydroxypropan-2-yl)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-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[3-(2-hydroxypropan-2-yl)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)(C)O)c4)cc3)nn2C)C1.
What is the InChIKey of 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is RRMWOPPLBCXCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16(29)28-13-12-22-21(15-28)23(26-27(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(2,3)30/h5-11,14,30H,12-13,15H2,1-4H3,(H,25,26).
What are the key properties of 1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 404.51 g/mol, XLogP of 3.96, 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-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121383059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).