N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide

C34H33N5O3 — CID 20810363

IUPACN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2)cc1
InChIInChI=1S/C34H33N5O3/c1-34(2,3)25-13-15-26(16-14-25)39-31(21-29(38-39)28-6-4-5-19-36-28)23-9-11-24(12-10-23)33(42)37-30(32(35)41)20-22-7-17-27(40)18-8-22/h4-19,21,30,40H,20H2,1-3H3,(H2,35,41)(H,37,42)
InChIKeyDJCIHRFEKCZVEE-UHFFFAOYSA-N
MW559.67 g/mol
LogP5.43
Rot. Bonds8

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide (PubChem CID 20810363) has the molecular formula C34H33N5O3 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide
PubChem CID20810363
Molecular FormulaC34H33N5O3
Molecular Weight559.67 g/mol
Exact Mass559.26
IUPAC NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2)cc1
InChIInChI=1S/C34H33N5O3/c1-34(2,3)25-13-15-26(16-14-25)39-31(21-29(38-39)28-6-4-5-19-36-28)23-9-11-24(12-10-23)33(42)37-30(32(35)41)20-22-7-17-27(40)18-8-22/h4-19,21,30,40H,20H2,1-3H3,(H2,35,41)(H,37,42)
InChIKeyDJCIHRFEKCZVEE-UHFFFAOYSA-N
XLogP5.43
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-N-[1-Amino-3-(4-hydroxyphenyl)-1-oxo-2-propyl]-5-[1-[4-(tert-butyl)phenyl]-3-(3-pyridyl)-5-pyrazolyl]pentanamide
CID 9915237
N-[1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898225
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440746
N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-3-(1-(4-tert-butylphenyl)-3-(isoquinolin-3-yl)-1H-pyrazol-5-yl)benzamide
CID 44440748
3-[4-(4-hydroxyphenyl)phenyl]-N-(pyridin-2-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
CID 135796852
N-((S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl)-6-(1-(4-tert-butylphenyl)-3-(pyridin-2-yl)-1H-pyrazol-5-ylamino)hexanamide
CID 44440751
N-((S)-1-amino-3-(3-hydroxyphenyl)-1-oxopropan-2-yl)-6-(1-(4-tert-butylphenyl)-3-(pyridin-2-yl)-1H-pyrazol-5-ylamino)hexanamide
CID 44440752
N-(4-hydroxyphenethyl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-3-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440754
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705271
2-[4-[[5-(1-Phenylpropylcarbamoyl)-2-propylpyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
CID 76325126
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-5-(pyridin-4-yl)-1H-pyrazol-3-yl)pentanamide
CID 44440784
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 59627354

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide?
The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide (CID 20810363) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide.
What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide?
The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide is CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2)cc1.
What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide?
The InChIKey is DJCIHRFEKCZVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O3/c1-34(2,3)25-13-15-26(16-14-25)39-31(21-29(38-39)28-6-4-5-19-36-28)23-9-11-24(12-10-23)33(42)37-30(32(35)41)20-22-7-17-27(40)18-8-22/h4-19,21,30,40H,20H2,1-3H3,(H2,35,41)(H,37,42).
What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide?
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide has a molecular weight of 559.67 g/mol, XLogP of 5.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 20810363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).