N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

C42H39F3N10O6 — CID 142316885

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C21H18F3N5O3.C21H21N5O3/c1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14/h2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29)
InChIKeyKXZJPSRUSZFDRL-UHFFFAOYSA-N
MW836.83 g/mol
LogP3.08
Rot. Bonds14

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 142316885) has the molecular formula C42H39F3N10O6 and a molecular weight of 836.83 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID142316885
Molecular FormulaC42H39F3N10O6
Molecular Weight836.83 g/mol
Exact Mass836.30
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C21H18F3N5O3.C21H21N5O3/c1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14/h2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29)
InChIKeyKXZJPSRUSZFDRL-UHFFFAOYSA-N
XLogP3.08
TPSA239.94 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.83
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(3-methylpyrazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958914
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-(5-(2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl)-2-methylpyridin-3-yl)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyridine-3-carboxamide
CID 71283628

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (CID 142316885) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is KXZJPSRUSZFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3.C21H21N5O3/c1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14/h2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 836.83 g/mol, XLogP of 3.08, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 142316885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).