(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide

C17H20N4O2 — CID 138995578

IUPAC(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cc(C)nn1C
InChIInChI=1S/C17H20N4O2/c1-11-8-14(20(3)19-11)10-18-17(23)16-9-13-6-4-5-7-15(13)21(16)12(2)22/h4-8,16H,9-10H2,1-3H3,(H,18,23)/t16-/m0/s1
InChIKeyXMJUHAINYVUXGG-INIZCTEOSA-N
MW312.37 g/mol
LogP1.32
Rot. Bonds3

About (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 138995578) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID138995578
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cc(C)nn1C
InChIInChI=1S/C17H20N4O2/c1-11-8-14(20(3)19-11)10-18-17(23)16-9-13-6-4-5-7-15(13)21(16)12(2)22/h4-8,16H,9-10H2,1-3H3,(H,18,23)/t16-/m0/s1
InChIKeyXMJUHAINYVUXGG-INIZCTEOSA-N
XLogP1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-acetyl-N-[2-(2-methylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954431
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
(2S)-1-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 92710265
(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 66126249
(2S)-1-acetyl-N-(1-methylpyrazol-4-yl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 56800905
1-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 20954374
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 86941910
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide (CID 138995578) is (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cc(C)nn1C.
What is the InChIKey of (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is XMJUHAINYVUXGG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-8-14(20(3)19-11)10-18-17(23)16-9-13-6-4-5-7-15(13)21(16)12(2)22/h4-8,16H,9-10H2,1-3H3,(H,18,23)/t16-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 138995578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).