3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine

C25H32N6O2S — CID 138686377

IUPAC3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCc1c(-c2[nH]c3ccc(C4CC(NCCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6O2S/c1-14(2)22-23(19-12-31-25(27-13-28-31)16(4)15(19)3)30-21-7-6-20(29-24(21)22)17-10-18(11-17)26-8-9-34(5,32)33/h6-7,12-14,17-18,26,30H,8-11H2,1-5H3
InChIKeyOHFXZMGSIILJGC-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.89
Rot. Bonds7

About 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine

3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine (PubChem CID 138686377) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine
PubChem CID138686377
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCc1c(-c2[nH]c3ccc(C4CC(NCCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6O2S/c1-14(2)22-23(19-12-31-25(27-13-28-31)16(4)15(19)3)30-21-7-6-20(29-24(21)22)17-10-18(11-17)26-8-9-34(5,32)33/h6-7,12-14,17-18,26,30H,8-11H2,1-5H3
InChIKeyOHFXZMGSIILJGC-UHFFFAOYSA-N
XLogP3.89
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine with MolForge

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Related Compounds

7,8-dimethyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686650
[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclobutyl]urea
CID 166008783
3-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]amino]propanenitrile
CID 138686610
2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R,5S)-5-methyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 138725727
2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3S,5R)-5-methyl-1-(3-methylsulfonylpropyl)pyrrolidin-3-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 159859254
7,8-dimethyl-6-[5-[(1S,5R)-3-(2-methylsulfonylethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138686718
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-N-methylacetamide
CID 138686257
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]thiolan-3-amine
CID 155226031
2-(dimethylamino)-1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperidin-1-yl]ethanone
CID 138686986
N-[2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]cyclopropanamine
CID 155226059
4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-(nitromethyl)cyclohexan-1-ol
CID 138686926
6-[5-[4-(3-methoxyazetidin-1-yl)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686873

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The IUPAC name of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine (CID 138686377) is 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine is Cc1c(-c2[nH]c3ccc(C4CC(NCCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The InChIKey is OHFXZMGSIILJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-14(2)22-23(19-12-31-25(27-13-28-31)16(4)15(19)3)30-21-7-6-20(29-24(21)22)17-10-18(11-17)26-8-9-34(5,32)33/h6-7,12-14,17-18,26,30H,8-11H2,1-5H3.
What are the key properties of 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine has a molecular weight of 480.64 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(2-methylsulfonylethyl)cyclobutan-1-amine is sourced from PubChem (CID 138686377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).