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

C25H32N6O3S — CID 138686438

IUPAC3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O3S/c1-15(2)22-23(17-12-21(34-4)25-26-14-27-31(25)13-17)29-20-7-6-19(28-24(20)22)16-10-18(11-16)30(3)8-9-35(5,32)33/h6-7,12-16,18,29H,8-11H2,1-5H3
InChIKeyFEQDQYQYPZANCP-UHFFFAOYSA-N
MW496.64 g/mol
LogP3.63
Rot. Bonds8

About 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine (PubChem CID 138686438) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 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-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
PubChem CID138686438
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O3S/c1-15(2)22-23(17-12-21(34-4)25-26-14-27-31(25)13-17)29-20-7-6-19(28-24(20)22)16-10-18(11-16)30(3)8-9-35(5,32)33/h6-7,12-16,18,29H,8-11H2,1-5H3
InChIKeyFEQDQYQYPZANCP-UHFFFAOYSA-N
XLogP3.63
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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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-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine (CID 138686438) is 3-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine is COc1cc(-c2[nH]c3ccc(C4CC(N(C)CCS(C)(=O)=O)C4)nc3c2C(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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine?
The InChIKey is FEQDQYQYPZANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-15(2)22-23(17-12-21(34-4)25-26-14-27-31(25)13-17)29-20-7-6-19(28-24(20)22)16-10-18(11-16)30(3)8-9-35(5,32)33/h6-7,12-16,18,29H,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-pyrrolo[3,2-b]pyridin-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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine has a molecular weight of 496.64 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(2-methylsulfonylethyl)cyclobutan-1-amine is sourced from PubChem (CID 138686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).