2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide

C23H35N5O2 — CID 58548828

IUPAC2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1
InChIInChI=1S/C23H35N5O2/c1-4-30-15-17-6-8-19(9-7-17)28-13-18(14-28)25-22(29)12-24-23-20-11-16(2)5-10-21(20)27(3)26-23/h5,10-11,17-19H,4,6-9,12-15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyWIHLPJBNGFQENX-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.69
Rot. Bonds8

About 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide

2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide (PubChem CID 58548828) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide
PubChem CID58548828
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1
InChIInChI=1S/C23H35N5O2/c1-4-30-15-17-6-8-19(9-7-17)28-13-18(14-28)25-22(29)12-24-23-20-11-16(2)5-10-21(20)27(3)26-23/h5,10-11,17-19H,4,6-9,12-15H2,1-3H3,(H,24,26)(H,25,29)
InChIKeyWIHLPJBNGFQENX-UHFFFAOYSA-N
XLogP2.69
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide 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 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide (CID 58548828) is 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide is CCOCC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.
What is the InChIKey of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide?
The InChIKey is WIHLPJBNGFQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-4-30-15-17-6-8-19(9-7-17)28-13-18(14-28)25-22(29)12-24-23-20-11-16(2)5-10-21(20)27(3)26-23/h5,10-11,17-19H,4,6-9,12-15H2,1-3H3,(H,24,26)(H,25,29).
What are the key properties of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide?
2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide has a molecular weight of 413.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(ethoxymethyl)cyclohexyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 58548828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).