(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

C19H23ClN4O2 — CID 51597899

IUPAC(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)ccc21
InChIInChI=1S/C19H23ClN4O2/c1-11(24-13(3)19(20)12(2)22-24)9-18(26)21-16-5-6-17-15(10-16)7-8-23(17)14(4)25/h5-6,10-11H,7-9H2,1-4H3,(H,21,26)/t11-/m0/s1
InChIKeyFICUCOHCPSHLKV-NSHDSACASA-N
MW374.87 g/mol
LogP3.65
Rot. Bonds4

About (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 51597899) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID51597899
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCC(=O)N1CCc2cc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)ccc21
InChIInChI=1S/C19H23ClN4O2/c1-11(24-13(3)19(20)12(2)22-24)9-18(26)21-16-5-6-17-15(10-16)7-8-23(17)14(4)25/h5-6,10-11H,7-9H2,1-4H3,(H,21,26)/t11-/m0/s1
InChIKeyFICUCOHCPSHLKV-NSHDSACASA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide with MolForge

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Related Compounds

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CID 63679851
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N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
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N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
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(2R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopropanamide;hydrochloride
CID 119271750
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 31517635
1-acetyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 46969697
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (CID 51597899) is (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is CC(=O)N1CCc2cc(NC(=O)C[C@H](C)n3nc(C)c(Cl)c3C)ccc21.
What is the InChIKey of (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is FICUCOHCPSHLKV-NSHDSACASA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-11(24-13(3)19(20)12(2)22-24)9-18(26)21-16-5-6-17-15(10-16)7-8-23(17)14(4)25/h5-6,10-11H,7-9H2,1-4H3,(H,21,26)/t11-/m0/s1.
What are the key properties of (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
(3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 374.87 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 51597899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).