methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate

C24H36N4O3 — CID 137484866

IUPACmethyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
SMILESCCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/C24H36N4O3/c1-6-19-20(24(29)31-5)12-22-21(13-25-26(22)3)23(19)28(7-2)17-10-8-16(9-11-17)27-14-18(15-27)30-4/h12-13,16-18H,6-11,14-15H2,1-5H3
InChIKeyVESMWTYAQAKSSU-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.39
Rot. Bonds7

About methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate

methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate (PubChem CID 137484866) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
PubChem CID137484866
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Namemethyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
SMILESCCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/C24H36N4O3/c1-6-19-20(24(29)31-5)12-22-21(13-25-26(22)3)23(19)28(7-2)17-10-8-16(9-11-17)27-14-18(15-27)30-4/h12-13,16-18H,6-11,14-15H2,1-5H3
InChIKeyVESMWTYAQAKSSU-UHFFFAOYSA-N
XLogP3.39
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-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 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?
The IUPAC name of methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate (CID 137484866) is methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate.
What is the SMILES notation for methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?
The canonical SMILES for methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate is CCc1c(C(=O)OC)cc2c(cnn2C)c1N(CC)C1CCC(N2CC(OC)C2)CC1.
What is the InChIKey of methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?
The InChIKey is VESMWTYAQAKSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-6-19-20(24(29)31-5)12-22-21(13-25-26(22)3)23(19)28(7-2)17-10-8-16(9-11-17)27-14-18(15-27)30-4/h12-13,16-18H,6-11,14-15H2,1-5H3.
What are the key properties of methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate?
methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate has a molecular weight of 428.58 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate is sourced from PubChem (CID 137484866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).