3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one

C32H43F3N4O2 — CID 154623700

IUPAC3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one
SMILESCCC1=C(CCC(=O)c2cc3c(cnn3C)c(N(CC)C3CCC(N(C)CC(F)(F)F)CC3)c2C)C(=O)CC(C)=C1
InChIInChI=1S/C32H43F3N4O2/c1-7-22-15-20(3)16-30(41)25(22)13-14-29(40)26-17-28-27(18-36-38(28)6)31(21(26)4)39(8-2)24-11-9-23(10-12-24)37(5)19-32(33,34)35/h15,17-18,23-24H,7-14,16,19H2,1-6H3
InChIKeyDZGSBHUBSWZJBY-UHFFFAOYSA-N
MW572.72 g/mol
LogP7.10
Rot. Bonds10

About 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one

3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one (PubChem CID 154623700) has the molecular formula C32H43F3N4O2 and a molecular weight of 572.72 g/mol. Its IUPAC name is 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one
PubChem CID154623700
Molecular FormulaC32H43F3N4O2
Molecular Weight572.72 g/mol
Exact Mass572.33
IUPAC Name3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one
SMILESCCC1=C(CCC(=O)c2cc3c(cnn3C)c(N(CC)C3CCC(N(C)CC(F)(F)F)CC3)c2C)C(=O)CC(C)=C1
InChIInChI=1S/C32H43F3N4O2/c1-7-22-15-20(3)16-30(41)25(22)13-14-29(40)26-17-28-27(18-36-38(28)6)31(21(26)4)39(8-2)24-11-9-23(10-12-24)37(5)19-32(33,34)35/h15,17-18,23-24H,7-14,16,19H2,1-6H3
InChIKeyDZGSBHUBSWZJBY-UHFFFAOYSA-N
XLogP7.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.72
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxamide
CID 137484790
N-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindazol-6-yl]phenyl]-N'-hydroxyoctanediamide
CID 168280130
N-[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindazol-6-yl]phenyl]-N'-hydroxyheptanediamide
CID 168289139
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
CID 155547840
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155555991
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(trifluoromethyl)phenyl]indazole-4-carboxamide
CID 155560875
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(trifluoromethyl)indazole-4-carboxamide
CID 77464467
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide
CID 77465848
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide
CID 162678208
1-(difluoromethyl)-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-5-methylindazole-6-carboxamide
CID 162678210
4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1,5-dimethylindazole-6-carboxamide
CID 162678211
4-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2,5-dimethylindazole-6-carboxamide
CID 162678212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one (CID 154623700) is 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one is CCC1=C(CCC(=O)c2cc3c(cnn3C)c(N(CC)C3CCC(N(C)CC(F)(F)F)CC3)c2C)C(=O)CC(C)=C1.
What is the InChIKey of 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one?
The InChIKey is DZGSBHUBSWZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43F3N4O2/c1-7-22-15-20(3)16-30(41)25(22)13-14-29(40)26-17-28-27(18-36-38(28)6)31(21(26)4)39(8-2)24-11-9-23(10-12-24)37(5)19-32(33,34)35/h15,17-18,23-24H,7-14,16,19H2,1-6H3.
What are the key properties of 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one?
3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one has a molecular weight of 572.72 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[3-[4-[ethyl-[4-[methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]amino]-1,5-dimethylindazol-6-yl]-3-oxopropyl]-5-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 154623700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).