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

C17H18N4O — CID 137255003

IUPAC1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1
InChIInChI=1S/C17H18N4O/c1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyLHZWFOVJEWVOSF-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.47
Rot. Bonds1

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

1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 137255003) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID137255003
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1
InChIInChI=1S/C17H18N4O/c1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h3-6,9,18H,7-8,10H2,1-2H3
InChIKeyLHZWFOVJEWVOSF-UHFFFAOYSA-N
XLogP2.47
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(1H-indol-3-yl)-1-[1-methyl-3-(4-propan-2-yl-1,2,4-triazol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 91909458
1-[3-(1H-benzimidazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(cyclopropylmethyl)-3-(1H-indol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-(1-propan-2-ylindol-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 161341379
1-[1-methyl-3-[3-(6-methyl-3-pyridinyl)isoquinolin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176984567
[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
CID 70450021
1-[3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 164754011
1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373231
1-[1-methyl-3-[4-(1H-pyrazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373264
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
CID 174779450
1-[1-(oxan-4-yl)-3-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 156759126
1-[3-[4-(3-hydroxyphenyl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145091066
1-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid
CID 121365473
5-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
CID 154820489

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 137255003) is 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c[nH]c4ccccc34)nn2C)C1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is LHZWFOVJEWVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(22)21-8-7-16-14(10-21)17(19-20(16)2)13-9-18-15-6-4-3-5-12(13)15/h3-6,9,18H,7-8,10H2,1-2H3.
What are the key properties of 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 294.36 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 137255003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).