N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

C18H22N4O2 — CID 94821243

IUPACN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCc1cc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)n(C(C)(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-11-9-15(22(21-11)18(2,3)4)20-16(23)10-13-12-7-5-6-8-14(12)19-17(13)24/h5-9,13H,10H2,1-4H3,(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyNFUZUCSLUAIWER-ZDUSSCGKSA-N
MW326.40 g/mol
LogP3.01
Rot. Bonds3

About N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide

N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (PubChem CID 94821243) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
PubChem CID94821243
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
SMILESCc1cc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)n(C(C)(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-11-9-15(22(21-11)18(2,3)4)20-16(23)10-13-12-7-5-6-8-14(12)19-17(13)24/h5-9,13H,10H2,1-4H3,(H,19,24)(H,20,23)/t13-/m0/s1
InChIKeyNFUZUCSLUAIWER-ZDUSSCGKSA-N
XLogP3.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The IUPAC name of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide (CID 94821243) is N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide.
What is the SMILES notation for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The canonical SMILES for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is Cc1cc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)n(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
The InChIKey is NFUZUCSLUAIWER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-9-15(22(21-11)18(2,3)4)20-16(23)10-13-12-7-5-6-8-14(12)19-17(13)24/h5-9,13H,10H2,1-4H3,(H,19,24)(H,20,23)/t13-/m0/s1.
What are the key properties of N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide?
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide is sourced from PubChem (CID 94821243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).