4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide

C29H44N6O2 — CID 137484835

IUPAC4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(C)nn2C)C1CCC(N(C)C)CC1
InChIInChI=1S/C29H44N6O2/c1-9-35(22-12-10-21(11-13-22)33(6)7)27-19(4)23(15-25-26(27)20(5)32-34(25)8)28(36)30-16-24-17(2)14-18(3)31-29(24)37/h14-15,21-22,29,31,37H,9-13,16H2,1-8H3,(H,30,36)
InChIKeyAYFFAVIFRBJZLI-UHFFFAOYSA-N
MW508.71 g/mol
LogP3.76
Rot. Bonds7

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide (PubChem CID 137484835) has the molecular formula C29H44N6O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide
PubChem CID137484835
Molecular FormulaC29H44N6O2
Molecular Weight508.71 g/mol
Exact Mass508.35
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide
SMILESCCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(C)nn2C)C1CCC(N(C)C)CC1
InChIInChI=1S/C29H44N6O2/c1-9-35(22-12-10-21(11-13-22)33(6)7)27-19(4)23(15-25-26(27)20(5)32-34(25)8)28(36)30-16-24-17(2)14-18(3)31-29(24)37/h14-15,21-22,29,31,37H,9-13,16H2,1-8H3,(H,30,36)
InChIKeyAYFFAVIFRBJZLI-UHFFFAOYSA-N
XLogP3.76
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.71
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-2-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 130402860
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-1-methylindazole-6-carboxamide
CID 137484838
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
CID 137484842
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
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylbenzamide
CID 158394729
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[(2-methyl-3-morpholin-4-yl-5-oxo-1H-pyrazol-4-yl)methyl]benzamide
CID 90469065
methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate
CID 154623690
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-amino-4-methylcyclohexyl)-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
CID 137484744
4-[[4-(3,3-difluoroazetidin-1-yl)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
CID 137484834
5-[4-[[4-[2-[[2-(2-adamantyl)acetyl]amino]ethyl]piperazin-1-yl]methyl]phenyl]-3-[ethyl(oxan-4-yl)amino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-2-methylbenzamide
CID 155247537
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide (CID 137484835) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide is CCN(c1c(C)c(C(=O)NCC2=C(C)C=C(C)NC2O)cc2c1c(C)nn2C)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide?
The InChIKey is AYFFAVIFRBJZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N6O2/c1-9-35(22-12-10-21(11-13-22)33(6)7)27-19(4)23(15-25-26(27)20(5)32-34(25)8)28(36)30-16-24-17(2)14-18(3)31-29(24)37/h14-15,21-22,29,31,37H,9-13,16H2,1-8H3,(H,30,36).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide?
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2-hydroxy-4,6-dimethyl-1,2-dihydropyridin-3-yl)methyl]-1,3,5-trimethylindazole-6-carboxamide is sourced from PubChem (CID 137484835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).