4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C22H23N3O3 — CID 134808195

IUPAC4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)c1OC
InChIInChI=1S/C22H23N3O3/c1-12-10-16-18(25(12)4)11-17(20-13(2)24-28-14(20)3)23-21(16)15-8-7-9-19(26-5)22(15)27-6/h7-11H,1-6H3
InChIKeyHMUHMULSTBIYAE-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.84
Rot. Bonds4

About 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134808195) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134808195
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)c1OC
InChIInChI=1S/C22H23N3O3/c1-12-10-16-18(25(12)4)11-17(20-13(2)24-28-14(20)3)23-21(16)15-8-7-9-19(26-5)22(15)27-6/h7-11H,1-6H3
InChIKeyHMUHMULSTBIYAE-UHFFFAOYSA-N
XLogP4.84
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134808195) is 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cccc(-c2nc(-c3c(C)noc3C)cc3c2cc(C)n3C)c1OC.
What is the InChIKey of 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HMUHMULSTBIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-12-10-16-18(25(12)4)11-17(20-13(2)24-28-14(20)3)23-21(16)15-8-7-9-19(26-5)22(15)27-6/h7-11H,1-6H3.
What are the key properties of 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 377.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethoxyphenyl)-1,2-dimethylpyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134808195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).