8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C25H32N6O3S — CID 138687129

IUPAC8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(CCC4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O3S/c1-16(2)22-23(18-11-21(34-3)25-26-15-27-31(25)14-18)29-20-8-7-19(28-24(20)22)6-5-17-12-30(13-17)9-10-35(4,32)33/h7-8,11,14-17,29H,5-6,9-10,12-13H2,1-4H3
InChIKeyWLTOVRPJPQLOGG-UHFFFAOYSA-N
MW496.64 g/mol
LogP3.31
Rot. Bonds9

About 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 138687129) has the molecular formula C25H32N6O3S and a molecular weight of 496.64 g/mol. Its IUPAC name is 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID138687129
Molecular FormulaC25H32N6O3S
Molecular Weight496.64 g/mol
Exact Mass496.23
IUPAC Name8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2[nH]c3ccc(CCC4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C25H32N6O3S/c1-16(2)22-23(18-11-21(34-3)25-26-15-27-31(25)14-18)29-20-8-7-19(28-24(20)22)6-5-17-12-30(13-17)9-10-35(4,32)33/h7-8,11,14-17,29H,5-6,9-10,12-13H2,1-4H3
InChIKeyWLTOVRPJPQLOGG-UHFFFAOYSA-N
XLogP3.31
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine 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 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 138687129) is 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(CCC4CN(CCS(C)(=O)=O)C4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WLTOVRPJPQLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3S/c1-16(2)22-23(18-11-21(34-3)25-26-15-27-31(25)14-18)29-20-8-7-19(28-24(20)22)6-5-17-12-30(13-17)9-10-35(4,32)33/h7-8,11,14-17,29H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 496.64 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-[5-[2-[1-(2-methylsulfonylethyl)azetidin-3-yl]ethyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 138687129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).