4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one

C22H25N5O — CID 141394365

IUPAC4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one
SMILESCN1CCc2ccc(Nc3nc4cccc(CC5CCC(=O)CC5)n4n3)cc21
InChIInChI=1S/C22H25N5O/c1-26-12-11-16-7-8-17(14-20(16)26)23-22-24-21-4-2-3-18(27(21)25-22)13-15-5-9-19(28)10-6-15/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,23,25)
InChIKeyBTOBANUXXSFYCE-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.77
Rot. Bonds4

About 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one

4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one (PubChem CID 141394365) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one
PubChem CID141394365
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one
SMILESCN1CCc2ccc(Nc3nc4cccc(CC5CCC(=O)CC5)n4n3)cc21
InChIInChI=1S/C22H25N5O/c1-26-12-11-16-7-8-17(14-20(16)26)23-22-24-21-4-2-3-18(27(21)25-22)13-15-5-9-19(28)10-6-15/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,23,25)
InChIKeyBTOBANUXXSFYCE-UHFFFAOYSA-N
XLogP3.77
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one 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 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one?
The IUPAC name of 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one (CID 141394365) is 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one is CN1CCc2ccc(Nc3nc4cccc(CC5CCC(=O)CC5)n4n3)cc21.
What is the InChIKey of 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one?
The InChIKey is BTOBANUXXSFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-12-11-16-7-8-17(14-20(16)26)23-22-24-21-4-2-3-18(27(21)25-22)13-15-5-9-19(28)10-6-15/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,23,25).
What are the key properties of 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one?
4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one has a molecular weight of 375.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-methyl-2,3-dihydroindol-6-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 141394365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).