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

C25H27N5O2 — CID 162663509

IUPAC(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C25H27N5O2/c1-16-13-23(29-28-16)30(3)25(32)22(14-18-9-5-4-6-10-18)27-24(31)15-20-17(2)26-21-12-8-7-11-19(20)21/h4-13,22,26H,14-15H2,1-3H3,(H,27,31)(H,28,29)/t22-/m0/s1
InChIKeyXUYDTUFDPHQPMP-QFIPXVFZSA-N
MW429.52 g/mol
LogP3.44
Rot. Bonds7

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

(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide (PubChem CID 162663509) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
PubChem CID162663509
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide
SMILESCc1cc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C25H27N5O2/c1-16-13-23(29-28-16)30(3)25(32)22(14-18-9-5-4-6-10-18)27-24(31)15-20-17(2)26-21-12-8-7-11-19(20)21/h4-13,22,26H,14-15H2,1-3H3,(H,27,31)(H,28,29)/t22-/m0/s1
InChIKeyXUYDTUFDPHQPMP-QFIPXVFZSA-N
XLogP3.44
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.44
H-Bond Donors ≤ 53
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-Isopropyl-N-(1-methyl-1H-pyrazol-4-ylmethyl)-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10271497
N-(5-(2-oxopyrrolidin-1-yl)-1H-indazol-3-yl)-2-phenylacetamide
CID 44447906
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
1-{5-[(1-cyclohexyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)carbonyl]-1H-pyrazol-3-yl}ethanone
CID 16189101
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
(2S)-N-(1H-indazol-5-yl)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 166634624
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
CID 11451593

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide (CID 162663509) is (2S)-N-methyl-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)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide is Cc1cc(N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2c(C)[nH]c3ccccc23)n[nH]1.
What is the InChIKey of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
The InChIKey is XUYDTUFDPHQPMP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-13-23(29-28-16)30(3)25(32)22(14-18-9-5-4-6-10-18)27-24(31)15-20-17(2)26-21-12-8-7-11-19(20)21/h4-13,22,26H,14-15H2,1-3H3,(H,27,31)(H,28,29)/t22-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide?
(2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide has a molecular weight of 429.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 162663509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).