1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone

C20H23N3O2 — CID 58702948

IUPAC1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)=O)c2cc1C
InChIInChI=1S/C20H23N3O2/c1-11(2)16-8-7-15(20(21-16)25-6)18-12(3)9-17-19(22-18)13(4)10-23(17)14(5)24/h7-11H,1-6H3
InChIKeyIFCJFYMYWXJSPI-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.51
Rot. Bonds3

About 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone

1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone (PubChem CID 58702948) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
PubChem CID58702948
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
SMILESCOc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)=O)c2cc1C
InChIInChI=1S/C20H23N3O2/c1-11(2)16-8-7-15(20(21-16)25-6)18-12(3)9-17-19(22-18)13(4)10-23(17)14(5)24/h7-11H,1-6H3
InChIKeyIFCJFYMYWXJSPI-UHFFFAOYSA-N
XLogP4.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone 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 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone (CID 58702948) is 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone is COc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)=O)c2cc1C.
What is the InChIKey of 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone?
The InChIKey is IFCJFYMYWXJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-11(2)16-8-7-15(20(21-16)25-6)18-12(3)9-17-19(22-18)13(4)10-23(17)14(5)24/h7-11H,1-6H3.
What are the key properties of 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone?
1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 58702948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).