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

C21H21N3O3 — CID 134808857

IUPAC4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3[nH]c(C)cc23)c1OC
InChIInChI=1S/C21H21N3O3/c1-11-9-15-16(22-11)10-17(19-12(2)24-27-13(19)3)23-20(15)14-7-6-8-18(25-4)21(14)26-5/h6-10,22H,1-5H3
InChIKeyRBAJBPIOOBHNIV-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.83
Rot. Bonds4

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

4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134808857) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID134808857
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cccc(-c2nc(-c3c(C)noc3C)cc3[nH]c(C)cc23)c1OC
InChIInChI=1S/C21H21N3O3/c1-11-9-15-16(22-11)10-17(19-12(2)24-27-13(19)3)23-20(15)14-7-6-8-18(25-4)21(14)26-5/h6-10,22H,1-5H3
InChIKeyRBAJBPIOOBHNIV-UHFFFAOYSA-N
XLogP4.83
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 134808857) is 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1cccc(-c2nc(-c3c(C)noc3C)cc3[nH]c(C)cc23)c1OC.
What is the InChIKey of 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is RBAJBPIOOBHNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-11-9-15-16(22-11)10-17(19-12(2)24-27-13(19)3)23-20(15)14-7-6-8-18(25-4)21(14)26-5/h6-10,22H,1-5H3.
What are the key properties of 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 363.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethoxyphenyl)-2-methyl-1H-pyrrolo[3,2-c]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134808857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).