1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide

C24H31N5O — CID 22663400

IUPAC1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide
SMILESCc1cn(CC2CCC3CC2C3(C)C)c2cc(C(=O)Nn3c(C)nnc3C)ccc12
InChIInChI=1S/C24H31N5O/c1-14-12-28(13-18-6-8-19-11-21(18)24(19,4)5)22-10-17(7-9-20(14)22)23(30)27-29-15(2)25-26-16(29)3/h7,9-10,12,18-19,21H,6,8,11,13H2,1-5H3,(H,27,30)
InChIKeyYQTSZGWQLZWRTL-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.61
Rot. Bonds4

About 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide

1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide (PubChem CID 22663400) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide.

Molecular Properties

Compound Name1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide
PubChem CID22663400
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide
SMILESCc1cn(CC2CCC3CC2C3(C)C)c2cc(C(=O)Nn3c(C)nnc3C)ccc12
InChIInChI=1S/C24H31N5O/c1-14-12-28(13-18-6-8-19-11-21(18)24(19,4)5)22-10-17(7-9-20(14)22)23(30)27-29-15(2)25-26-16(29)3/h7,9-10,12,18-19,21H,6,8,11,13H2,1-5H3,(H,27,30)
InChIKeyYQTSZGWQLZWRTL-UHFFFAOYSA-N
XLogP4.61
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-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 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide?
The IUPAC name of 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide (CID 22663400) is 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide.
What is the SMILES notation for 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide?
The canonical SMILES for 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide is Cc1cn(CC2CCC3CC2C3(C)C)c2cc(C(=O)Nn3c(C)nnc3C)ccc12.
What is the InChIKey of 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide?
The InChIKey is YQTSZGWQLZWRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-14-12-28(13-18-6-8-19-11-21(18)24(19,4)5)22-10-17(7-9-20(14)22)23(30)27-29-15(2)25-26-16(29)3/h7,9-10,12,18-19,21H,6,8,11,13H2,1-5H3,(H,27,30).
What are the key properties of 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide?
1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-3-methylindole-6-carboxamide is sourced from PubChem (CID 22663400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).