3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid

C32H43F3N6O4 — CID 175970820

IUPAC3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(c1c(C)c(C(N)=O)cc(-c2ccn(C)n2)c1Cc1c(C)cc(C)[nH]c1=O)C1CCC(N(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H42N6O2.C2HF3O2/c1-8-36(22-11-9-21(10-12-22)34(5)6)28-20(4)24(29(31)37)17-25(27-13-14-35(7)33-27)26(28)16-23-18(2)15-19(3)32-30(23)38;3-2(4,5)1(6)7/h13-15,17,21-22H,8-12,16H2,1-7H3,(H2,31,37)(H,32,38);(H,6,7)
InChIKeyGXMPSDYXNILTQC-UHFFFAOYSA-N
MW632.73 g/mol
LogP4.72
Rot. Bonds8

About 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid

3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid (PubChem CID 175970820) has the molecular formula C32H43F3N6O4 and a molecular weight of 632.73 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid
PubChem CID175970820
Molecular FormulaC32H43F3N6O4
Molecular Weight632.73 g/mol
Exact Mass632.33
IUPAC Name3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid
SMILESCCN(c1c(C)c(C(N)=O)cc(-c2ccn(C)n2)c1Cc1c(C)cc(C)[nH]c1=O)C1CCC(N(C)C)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C30H42N6O2.C2HF3O2/c1-8-36(22-11-9-21(10-12-22)34(5)6)28-20(4)24(29(31)37)17-25(27-13-14-35(7)33-27)26(28)16-23-18(2)15-19(3)32-30(23)38;3-2(4,5)1(6)7/h13-15,17,21-22H,8-12,16H2,1-7H3,(H2,31,37)(H,32,38);(H,6,7)
InChIKeyGXMPSDYXNILTQC-UHFFFAOYSA-N
XLogP4.72
TPSA137.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.73
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide
CID 141496138
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-1-methylindazole-6-carboxamide
CID 137484838
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]benzamide
CID 163565417
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913333
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-[3-(dimethylamino)prop-1-ynyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 70874880
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethynyl]benzamide
CID 118424481
N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazole-6-carboxamide
CID 155062702
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(4-propan-2-ylcyclohexyl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 137382159
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
2-[5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methylbenzoyl]-6-methyl-3,5-dihydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 121380942
3-[[[7-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]isoquinolin-1-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;ethane
CID 142345568

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid (CID 175970820) is 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid is CCN(c1c(C)c(C(N)=O)cc(-c2ccn(C)n2)c1Cc1c(C)cc(C)[nH]c1=O)C1CCC(N(C)C)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid?
The InChIKey is GXMPSDYXNILTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O2.C2HF3O2/c1-8-36(22-11-9-21(10-12-22)34(5)6)28-20(4)24(29(31)37)17-25(27-13-14-35(7)33-27)26(28)16-23-18(2)15-19(3)32-30(23)38;3-2(4,5)1(6)7/h13-15,17,21-22H,8-12,16H2,1-7H3,(H2,31,37)(H,32,38);(H,6,7).
What are the key properties of 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid?
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid has a molecular weight of 632.73 g/mol, XLogP of 4.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(1-methylpyrazol-3-yl)benzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175970820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).