3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine

C26H33N5O3S — CID 154639556

IUPAC3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N5O3S/c1-16(2)24-21-12-17(18-10-20(11-18)30(3)8-9-35(5,32)33)6-7-22(21)29-25(24)19-13-23(34-4)26-27-15-28-31(26)14-19/h6-7,12-16,18,20,29H,8-11H2,1-5H3
InChIKeyKJZBBZBUNRHLHR-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.23
Rot. Bonds8

About 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine

3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine (PubChem CID 154639556) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
PubChem CID154639556
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C26H33N5O3S/c1-16(2)24-21-12-17(18-10-20(11-18)30(3)8-9-35(5,32)33)6-7-22(21)29-25(24)19-13-23(34-4)26-27-15-28-31(26)14-19/h6-7,12-16,18,20,29H,8-11H2,1-5H3
InChIKeyKJZBBZBUNRHLHR-UHFFFAOYSA-N
XLogP4.23
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine with MolForge

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Related Compounds

8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
CID 140830339
N-[3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutyl]oxetan-3-amine
CID 154639635
2-[cyclopropyl(methyl)amino]-N-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]acetamide
CID 154639602
1-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 158399041
8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 154639581
2-[ethyl(methyl)amino]-1-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]ethanone
CID 155142294
N-ethyl-2-[2-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]morpholin-4-yl]-N-methylacetamide
CID 155154899
8-methoxy-6-[5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686289
3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382
methyl 3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanoate
CID 161420317
2-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidin-1-yl]-N,N-dimethylethanamine
CID 155226842
2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetonitrile
CID 135319385

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The IUPAC name of 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine (CID 154639556) is 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine is COc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The InChIKey is KJZBBZBUNRHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-16(2)24-21-12-17(18-10-20(11-18)30(3)8-9-35(5,32)33)6-7-22(21)29-25(24)19-13-23(34-4)26-27-15-28-31(26)14-19/h6-7,12-16,18,20,29H,8-11H2,1-5H3.
What are the key properties of 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine has a molecular weight of 495.65 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine is sourced from PubChem (CID 154639556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).