methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate

C22H34N4O2 — CID 154623690

IUPACmethyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate
SMILESCCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C22H34N4O2/c1-7-17-18(22(27)28-6)13-20-19(14-23-25(20)5)21(17)26(8-2)16-11-9-15(10-12-16)24(3)4/h13-16H,7-12H2,1-6H3
InChIKeyPMGNGVIDMBPKEX-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.62
Rot. Bonds6

About methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate

methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate (PubChem CID 154623690) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate
PubChem CID154623690
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Namemethyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate
SMILESCCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C22H34N4O2/c1-7-17-18(22(27)28-6)13-20-19(14-23-25(20)5)21(17)26(8-2)16-11-9-15(10-12-16)24(3)4/h13-16H,7-12H2,1-6H3
InChIKeyPMGNGVIDMBPKEX-UHFFFAOYSA-N
XLogP3.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate (CID 154623690) is methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate is CCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate?
The InChIKey is PMGNGVIDMBPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-7-17-18(22(27)28-6)13-20-19(14-23-25(20)5)21(17)26(8-2)16-11-9-15(10-12-16)24(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate?
methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-1-methylindazole-6-carboxylate is sourced from PubChem (CID 154623690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).