(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide

C32H37N5O3 — CID 69252590

IUPAC(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)N(CCCc1cc(-c2ccncc2)nn1-c1ccc(C(C)(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C32H37N5O3/c1-22(38)36(30(31(33)40)20-23-7-13-28(39)14-8-23)19-5-6-27-21-29(24-15-17-34-18-16-24)35-37(27)26-11-9-25(10-12-26)32(2,3)4/h7-18,21,30,39H,5-6,19-20H2,1-4H3,(H2,33,40)/t30-/m0/s1
InChIKeyDTOQAHIUZBHTKU-PMERELPUSA-N
MW539.68 g/mol
LogP4.82
Rot. Bonds10

About (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide

(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 69252590) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide
PubChem CID69252590
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide
SMILESCC(=O)N(CCCc1cc(-c2ccncc2)nn1-c1ccc(C(C)(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C32H37N5O3/c1-22(38)36(30(31(33)40)20-23-7-13-28(39)14-8-23)19-5-6-27-21-29(24-15-17-34-18-16-24)35-37(27)26-11-9-25(10-12-26)32(2,3)4/h7-18,21,30,39H,5-6,19-20H2,1-4H3,(H2,33,40)/t30-/m0/s1
InChIKeyDTOQAHIUZBHTKU-PMERELPUSA-N
XLogP4.82
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-2-amino-N-[3-[[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]amino]propyl]-3-(4-hydroxyphenyl)propanamide
CID 22385835
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide
CID 69250975
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]-N-(2-hydroxyethyl)butanamide
CID 69252448
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
CID 20810346
N-acetyl-2-amino-N-[3-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]propyl]-3-(4-hydroxyphenyl)propanamide
CID 22385843
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-tert-butylphenyl)-5-pyridin-4-ylpyrazol-3-yl]pentanamide
CID 69251677
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[[1-(4-tert-butylphenyl)-3-(1-oxidopyridin-1-ium-4-yl)pyrazol-5-yl]amino]butanamide
CID 69251498
N-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]amino]butanamide
CID 22385838
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]benzamide
CID 69250990
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-5-[1-(4-tert-butylphenyl)-3-isoquinolin-3-ylpyrazol-5-yl]pentanamide
CID 69250310
N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-[[1-(4-tert-butylphenyl)-3-(1-oxidopyridin-1-ium-4-yl)pyrazol-5-yl]amino]butanamide
CID 69251501
4-[(2S)-3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide
CID 69248749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide (CID 69252590) is (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide is CC(=O)N(CCCc1cc(-c2ccncc2)nn1-c1ccc(C(C)(C)C)cc1)[C@@H](Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is DTOQAHIUZBHTKU-PMERELPUSA-N. The full InChI is InChI=1S/C32H37N5O3/c1-22(38)36(30(31(33)40)20-23-7-13-28(39)14-8-23)19-5-6-27-21-29(24-15-17-34-18-16-24)35-37(27)26-11-9-25(10-12-26)32(2,3)4/h7-18,21,30,39H,5-6,19-20H2,1-4H3,(H2,33,40)/t30-/m0/s1.
What are the key properties of (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide?
(2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 539.68 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl-[3-[1-(4-tert-butylphenyl)-3-pyridin-4-ylpyrazol-5-yl]propyl]amino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 69252590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).