(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide

C24H25N5O2 — CID 162676046

IUPAC(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C24H25N5O2/c1-15-12-22(29-28-15)27-24(31)21(13-17-8-4-3-5-9-17)26-23(30)14-19-16(2)25-20-11-7-6-10-18(19)20/h3-12,21,25H,13-14H2,1-2H3,(H,26,30)(H2,27,28,29,31)/t21-/m0/s1
InChIKeyRMURUURPQMJXBK-NRFANRHFSA-N
MW415.50 g/mol
LogP3.42
Rot. Bonds7

About (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide

(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide (PubChem CID 162676046) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
PubChem CID162676046
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C24H25N5O2/c1-15-12-22(29-28-15)27-24(31)21(13-17-8-4-3-5-9-17)26-23(30)14-19-16(2)25-20-11-7-6-10-18(19)20/h3-12,21,25H,13-14H2,1-2H3,(H,26,30)(H2,27,28,29,31)/t21-/m0/s1
InChIKeyRMURUURPQMJXBK-NRFANRHFSA-N
XLogP3.42
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

7-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)-N-(Propan-2-Yl)-1h-Indole-2-Carboxamide
CID 70678492
N-Isopropyl-N-(2-methyl-2H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10156985
N-Isopropyl-N-(1-methyl-1H-pyrazol-3-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10221771
N-(5-(ethylamino)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447902
N-(5-(2-oxopyrrolidin-1-yl)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447906
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
CID 118560488
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methylbenzamide
CID 135870688
N-(1H-indazol-5-yl)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 156291609
2-phenyl-N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118381321
N-(1-benzylpyrazol-3-yl)-1H-indazole-3-carboxamide
CID 90656736
N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 137653101
2-(2-methyl-1H-indol-3-yl)-N-[2-[(5-methyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 145967534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide (CID 162676046) is (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide is Cc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1.
What is the InChIKey of (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The InChIKey is RMURUURPQMJXBK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-12-22(29-28-15)27-24(31)21(13-17-8-4-3-5-9-17)26-23(30)14-19-16(2)25-20-11-7-6-10-18(19)20/h3-12,21,25H,13-14H2,1-2H3,(H,26,30)(H2,27,28,29,31)/t21-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
(2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide has a molecular weight of 415.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 162676046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).