1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C21H24N6O — CID 121372946

IUPAC1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(N3CCc4cc(-c5cnn(C)c5C)ccc43)c2C1
InChIInChI=1S/C21H24N6O/c1-13-17(11-22-25(13)3)15-4-5-20-16(10-15)6-9-27(20)21-18-12-26(14(2)28)8-7-19(18)23-24-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,24)
InChIKeyAAIBZXBFYAJEMP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.72
Rot. Bonds2

About 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372946) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372946
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]nc(N3CCc4cc(-c5cnn(C)c5C)ccc43)c2C1
InChIInChI=1S/C21H24N6O/c1-13-17(11-22-25(13)3)15-4-5-20-16(10-15)6-9-27(20)21-18-12-26(14(2)28)8-7-19(18)23-24-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,24)
InChIKeyAAIBZXBFYAJEMP-UHFFFAOYSA-N
XLogP2.72
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160569517
1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane
CID 145090935
1-[1-methyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372664
1-[3-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372764
1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983169
1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145092196
1-[1-ethyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176986088
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
CID 145091927
1-[5-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindole-1-carboximidoyl]-4-(oxolan-3-ylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139398898
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-(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-2,3-dihydroindole-6-carboxylic acid
CID 121365473

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372946) is 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2[nH]nc(N3CCc4cc(-c5cnn(C)c5C)ccc43)c2C1.
What is the InChIKey of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is AAIBZXBFYAJEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-13-17(11-22-25(13)3)15-4-5-20-16(10-15)6-9-27(20)21-18-12-26(14(2)28)8-7-19(18)23-24-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,24).
What are the key properties of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).