N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide

C129H145N20O12+ — CID 158814293

IUPACN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
SMILESCC(C)(C)c1ccc(-[n+]2[nH]c(CCCCC(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2-c2cccnc2)cc1.CC(C)(C)c1ccc(CCn2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CCCCn1nc(-c2cc3ccccc3cn2)cc1-c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1
InChIInChI=1S/C34H41N5O3.C32H31N5O3.C32H37N5O3.C31H35N5O3/c1-34(2,3)26-15-11-24(12-16-26)19-21-39-27(23-30(38-39)29-9-6-7-20-36-29)8-4-5-10-32(41)37-31(33(35)42)22-25-13-17-28(40)18-14-25;1-2-3-16-37-30(19-28(36-37)27-18-24-6-4-5-7-25(24)20-34-27)22-10-12-23(13-11-22)32(40)35-29(31(33)39)17-21-8-14-26(38)15-9-21;1-32(2,3)24-12-14-26(15-13-24)37-29(23-7-6-18-34-21-23)20-25(36-37)8-4-5-9-30(39)35-28(31(33)40)19-22-10-16-27(38)17-11-22;1-21(2)23-11-13-25(14-12-23)36-26(19-28(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-29(31(32)39)18-22-9-15-27(37)16-10-22/h6-7,9,11-18,20,23,31,40H,4-5,8,10,19,21-22H2,1-3H3,(H2,35,42)(H,37,41);4-15,18-20,29,38H,2-3,16-17H2,1H3,(H2,33,39)(H,35,40);6-7,10-18,20-21,28H,4-5,8-9,19H2,1-3H3,(H4,33,35,38,39,40);5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38)/p+1
InChIKeyWGPABXGKXZULGW-UHFFFAOYSA-O
MW2167.71 g/mol
LogP19.18
Rot. Bonds46

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (PubChem CID 158814293) has the molecular formula C129H145N20O12+ and a molecular weight of 2167.71 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
PubChem CID158814293
Molecular FormulaC129H145N20O12+
Molecular Weight2167.71 g/mol
Exact Mass2166.13
IUPAC NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide
SMILESCC(C)(C)c1ccc(-[n+]2[nH]c(CCCCC(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2-c2cccnc2)cc1.CC(C)(C)c1ccc(CCn2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CCCCn1nc(-c2cc3ccccc3cn2)cc1-c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1
InChIInChI=1S/C34H41N5O3.C32H31N5O3.C32H37N5O3.C31H35N5O3/c1-34(2,3)26-15-11-24(12-16-26)19-21-39-27(23-30(38-39)29-9-6-7-20-36-29)8-4-5-10-32(41)37-31(33(35)42)22-25-13-17-28(40)18-14-25;1-2-3-16-37-30(19-28(36-37)27-18-24-6-4-5-7-25(24)20-34-27)22-10-12-23(13-11-22)32(40)35-29(31(33)39)17-21-8-14-26(38)15-9-21;1-32(2,3)24-12-14-26(15-13-24)37-29(23-7-6-18-34-21-23)20-25(36-37)8-4-5-9-30(39)35-28(31(33)40)19-22-10-16-27(38)17-11-22;1-21(2)23-11-13-25(14-12-23)36-26(19-28(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-29(31(32)39)18-22-9-15-27(37)16-10-22/h6-7,9,11-18,20,23,31,40H,4-5,8,10,19,21-22H2,1-3H3,(H2,35,42)(H,37,41);4-15,18-20,29,38H,2-3,16-17H2,1H3,(H2,33,39)(H,35,40);6-7,10-18,20-21,28H,4-5,8-9,19H2,1-3H3,(H4,33,35,38,39,40);5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38)/p+1
InChIKeyWGPABXGKXZULGW-UHFFFAOYSA-O
XLogP19.18
TPSA494.37 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.71
LogP ≤ 519.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?
The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide (CID 158814293) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide.
What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?
The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is CC(C)(C)c1ccc(-[n+]2[nH]c(CCCCC(=O)NC(Cc3ccc(O)cc3)C(N)=O)cc2-c2cccnc2)cc1.CC(C)(C)c1ccc(CCn2nc(-c3ccccn3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CC(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.CCCCn1nc(-c2cc3ccccc3cn2)cc1-c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(N)=O)cc1.
What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?
The InChIKey is WGPABXGKXZULGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H41N5O3.C32H31N5O3.C32H37N5O3.C31H35N5O3/c1-34(2,3)26-15-11-24(12-16-26)19-21-39-27(23-30(38-39)29-9-6-7-20-36-29)8-4-5-10-32(41)37-31(33(35)42)22-25-13-17-28(40)18-14-25;1-2-3-16-37-30(19-28(36-37)27-18-24-6-4-5-7-25(24)20-34-27)22-10-12-23(13-11-22)32(40)35-29(31(33)39)17-21-8-14-26(38)15-9-21;1-32(2,3)24-12-14-26(15-13-24)37-29(23-7-6-18-34-21-23)20-25(36-37)8-4-5-9-30(39)35-28(31(33)40)19-22-10-16-27(38)17-11-22;1-21(2)23-11-13-25(14-12-23)36-26(19-28(35-36)24-6-5-17-33-20-24)7-3-4-8-30(38)34-29(31(32)39)18-22-9-15-27(37)16-10-22/h6-7,9,11-18,20,23,31,40H,4-5,8,10,19,21-22H2,1-3H3,(H2,35,42)(H,37,41);4-15,18-20,29,38H,2-3,16-17H2,1H3,(H2,33,39)(H,35,40);6-7,10-18,20-21,28H,4-5,8-9,19H2,1-3H3,(H4,33,35,38,39,40);5-6,9-17,19-21,29,37H,3-4,7-8,18H2,1-2H3,(H2,32,39)(H,34,38)/p+1.
What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide?
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide has a molecular weight of 2167.71 g/mol, XLogP of 19.18, 46 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(1-butyl-3-isoquinolin-3-ylpyrazol-5-yl)benzamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-[2-(4-tert-butylphenyl)ethyl]-3-pyridin-2-ylpyrazol-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[2-(4-tert-butylphenyl)-3-pyridin-3-yl-1H-pyrazol-2-ium-5-yl]pentanamide;N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-[1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpyrazol-5-yl]pentanamide is sourced from PubChem (CID 158814293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).