4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide

C23H24N4O3 — CID 98139514

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide
SMILESCOc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-n3nc(C)cc3C)cc1)C(=O)N2
InChIInChI=1S/C23H24N4O3/c1-14-12-15(2)27(26-14)17-6-4-16(5-7-17)22(28)24-11-10-19-20-13-18(30-3)8-9-21(20)25-23(19)29/h4-9,12-13,19H,10-11H2,1-3H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyUMQSELDAIGJWEU-LJQANCHMSA-N
MW404.47 g/mol
LogP3.35
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide (PubChem CID 98139514) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide
PubChem CID98139514
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide
SMILESCOc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-n3nc(C)cc3C)cc1)C(=O)N2
InChIInChI=1S/C23H24N4O3/c1-14-12-15(2)27(26-14)17-6-4-16(5-7-17)22(28)24-11-10-19-20-13-18(30-3)8-9-21(20)25-23(19)29/h4-9,12-13,19H,10-11H2,1-3H3,(H,24,28)(H,25,29)/t19-/m1/s1
InChIKeyUMQSELDAIGJWEU-LJQANCHMSA-N
XLogP3.35
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]-4-methyl-3-morpholin-4-ylbenzamide
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CID 119537934
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CID 119499461
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
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CID 9112873
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CID 26365102
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CID 41412823

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide (CID 98139514) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide is COc1ccc2c(c1)[C@@H](CCNC(=O)c1ccc(-n3nc(C)cc3C)cc1)C(=O)N2.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide?
The InChIKey is UMQSELDAIGJWEU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-12-15(2)27(26-14)17-6-4-16(5-7-17)22(28)24-11-10-19-20-13-18(30-3)8-9-21(20)25-23(19)29/h4-9,12-13,19H,10-11H2,1-3H3,(H,24,28)(H,25,29)/t19-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[(3R)-5-methoxy-2-oxo-1,3-dihydroindol-3-yl]ethyl]benzamide is sourced from PubChem (CID 98139514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).