1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone

C17H22N4O — CID 95347671

IUPAC1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
SMILESCc1cnn(CCNCC(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C17H22N4O/c1-13-10-19-20(12-13)8-7-18-11-17(22)21-14(2)9-15-5-3-4-6-16(15)21/h3-6,10,12,14,18H,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyCQGNULOBVFAFQS-AWEZNQCLSA-N
MW298.39 g/mol
LogP1.76
Rot. Bonds5

About 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone (PubChem CID 95347671) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
PubChem CID95347671
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
SMILESCc1cnn(CCNCC(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C17H22N4O/c1-13-10-19-20(12-13)8-7-18-11-17(22)21-14(2)9-15-5-3-4-6-16(15)21/h3-6,10,12,14,18H,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyCQGNULOBVFAFQS-AWEZNQCLSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone
CID 95347682
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
CID 108999183
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109002750
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 2098844
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 113001141

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone (CID 95347671) is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone is Cc1cnn(CCNCC(=O)N2c3ccccc3C[C@@H]2C)c1.
What is the InChIKey of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone?
The InChIKey is CQGNULOBVFAFQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-10-19-20(12-13)8-7-18-11-17(22)21-14(2)9-15-5-3-4-6-16(15)21/h3-6,10,12,14,18H,7-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone?
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone has a molecular weight of 298.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanone is sourced from PubChem (CID 95347671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).