N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide

C28H26N4O2 — CID 92873024

IUPACN-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C28H26N4O2/c1-18-17-23-11-7-8-12-25(23)31(18)28(34)22-13-15-24(16-14-22)32-27(29-20(3)33)26(19(2)30-32)21-9-5-4-6-10-21/h4-16,18H,17H2,1-3H3,(H,29,33)/t18-/m0/s1
InChIKeyIFNLWXOZIQUWAN-SFHVURJKSA-N
MW450.54 g/mol
LogP5.40
Rot. Bonds4

About N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide

N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide (PubChem CID 92873024) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide
PubChem CID92873024
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1
InChIInChI=1S/C28H26N4O2/c1-18-17-23-11-7-8-12-25(23)31(18)28(34)22-13-15-24(16-14-22)32-27(29-20(3)33)26(19(2)30-32)21-9-5-4-6-10-21/h4-16,18H,17H2,1-3H3,(H,29,33)/t18-/m0/s1
InChIKeyIFNLWXOZIQUWAN-SFHVURJKSA-N
XLogP5.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 7742106
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-benzylbenzamide
CID 46334888
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)acetamide
CID 132538742
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide?
The IUPAC name of N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide (CID 92873024) is N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide is CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1.
What is the InChIKey of N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide?
The InChIKey is IFNLWXOZIQUWAN-SFHVURJKSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18-17-23-11-7-8-12-25(23)31(18)28(34)22-13-15-24(16-14-22)32-27(29-20(3)33)26(19(2)30-32)21-9-5-4-6-10-21/h4-16,18H,17H2,1-3H3,(H,29,33)/t18-/m0/s1.
What are the key properties of N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide?
N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide has a molecular weight of 450.54 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]-4-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 92873024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).