3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide

C25H32N4O2 — CID 136624675

IUPAC3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)N(C)c2ccc3cc(-c4n[nH]c5c4CCC(C)C5)[nH]c3c2)C1
InChIInChI=1S/C25H32N4O2/c1-15-7-10-20-22(11-15)27-28-24(20)23-13-16-8-9-18(14-21(16)26-23)29(2)25(30)17-5-4-6-19(12-17)31-3/h8-9,13-15,17,19,26H,4-7,10-12H2,1-3H3,(H,27,28)
InChIKeyAAAGKMLTENRBIO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.85
Rot. Bonds4

About 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide

3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide (PubChem CID 136624675) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide
PubChem CID136624675
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCOC1CCCC(C(=O)N(C)c2ccc3cc(-c4n[nH]c5c4CCC(C)C5)[nH]c3c2)C1
InChIInChI=1S/C25H32N4O2/c1-15-7-10-20-22(11-15)27-28-24(20)23-13-16-8-9-18(14-21(16)26-23)29(2)25(30)17-5-4-6-19(12-17)31-3/h8-9,13-15,17,19,26H,4-7,10-12H2,1-3H3,(H,27,28)
InChIKeyAAAGKMLTENRBIO-UHFFFAOYSA-N
XLogP4.85
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide 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 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide (CID 136624675) is 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide is COC1CCCC(C(=O)N(C)c2ccc3cc(-c4n[nH]c5c4CCC(C)C5)[nH]c3c2)C1.
What is the InChIKey of 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide?
The InChIKey is AAAGKMLTENRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-15-7-10-20-22(11-15)27-28-24(20)23-13-16-8-9-18(14-21(16)26-23)29(2)25(30)17-5-4-6-19(12-17)31-3/h8-9,13-15,17,19,26H,4-7,10-12H2,1-3H3,(H,27,28).
What are the key properties of 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide?
3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[2-(6-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 136624675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).