(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

C21H20FN5O4S — CID 26311422

IUPAC(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESC[C@@H]1Cc2cc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C21H20FN5O4S/c1-13-9-15-10-14(3-8-18(15)27(13)32(2,30)31)20(28)24-25-21(29)19-11-23-12-26(19)17-6-4-16(22)5-7-17/h3-8,10-13H,9H2,1-2H3,(H,24,28)(H,25,29)/t13-/m1/s1
InChIKeyIPNPRRJGJYQQSU-CYBMUJFWSA-N
MW457.49 g/mol
LogP1.80
Rot. Bonds4

About (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide

(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (PubChem CID 26311422) has the molecular formula C21H20FN5O4S and a molecular weight of 457.49 g/mol. Its IUPAC name is (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.

Molecular Properties

Compound Name(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
PubChem CID26311422
Molecular FormulaC21H20FN5O4S
Molecular Weight457.49 g/mol
Exact Mass457.12
IUPAC Name(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
SMILESC[C@@H]1Cc2cc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C21H20FN5O4S/c1-13-9-15-10-14(3-8-18(15)27(13)32(2,30)31)20(28)24-25-21(29)19-11-23-12-26(19)17-6-4-16(22)5-7-17/h3-8,10-13H,9H2,1-2H3,(H,24,28)(H,25,29)/t13-/m1/s1
InChIKeyIPNPRRJGJYQQSU-CYBMUJFWSA-N
XLogP1.80
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207273
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9207276
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 46522258
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
2-methyl-1-methylsulfonyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 86970996
(2R)-N'-(2-chlorobenzoyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9037439
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 87029983
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9424940

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The IUPAC name of (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide (CID 26311422) is (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide.
What is the SMILES notation for (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The canonical SMILES for (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is C[C@@H]1Cc2cc(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)ccc2N1S(C)(=O)=O.
What is the InChIKey of (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
The InChIKey is IPNPRRJGJYQQSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20FN5O4S/c1-13-9-15-10-14(3-8-18(15)27(13)32(2,30)31)20(28)24-25-21(29)19-11-23-12-26(19)17-6-4-16(22)5-7-17/h3-8,10-13H,9H2,1-2H3,(H,24,28)(H,25,29)/t13-/m1/s1.
What are the key properties of (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide?
(2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide has a molecular weight of 457.49 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide is sourced from PubChem (CID 26311422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).