(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide

C17H19N5O2 — CID 126824986

IUPAC(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nnc(C2CC2)n1C
InChIInChI=1S/C17H19N5O2/c1-10(23)22-13-6-4-3-5-12(13)9-14(22)16(24)18-17-20-19-15(21(17)2)11-7-8-11/h3-6,11,14H,7-9H2,1-2H3,(H,18,20,24)/t14-/m0/s1
InChIKeyPSQDUMGWZLLNTM-AWEZNQCLSA-N
MW325.37 g/mol
LogP1.61
Rot. Bonds3

About (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide (PubChem CID 126824986) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide
PubChem CID126824986
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nnc(C2CC2)n1C
InChIInChI=1S/C17H19N5O2/c1-10(23)22-13-6-4-3-5-12(13)9-14(22)16(24)18-17-20-19-15(21(17)2)11-7-8-11/h3-6,11,14H,7-9H2,1-2H3,(H,18,20,24)/t14-/m0/s1
InChIKeyPSQDUMGWZLLNTM-AWEZNQCLSA-N
XLogP1.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide with MolForge

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Related Compounds

(2S)-1-acetyl-N-(3-hydroxy-4-pyridinyl)-2,3-dihydroindole-2-carboxamide
CID 75376328
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CID 40805370
1-acetyl-N-(4-ethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954321
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954315
(2R)-1-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindole-2-carboxamide
CID 92710254
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 56800905
(2S)-1-acetyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]-2,3-dihydroindole-2-carboxamide
CID 97053576
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide (CID 126824986) is (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nnc(C2CC2)n1C.
What is the InChIKey of (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is PSQDUMGWZLLNTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10(23)22-13-6-4-3-5-12(13)9-14(22)16(24)18-17-20-19-15(21(17)2)11-7-8-11/h3-6,11,14H,7-9H2,1-2H3,(H,18,20,24)/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 126824986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).