4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C24H26N4O — CID 11625979

IUPAC4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(C)c(C)c2nccc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C24H26N4O/c1-15-17(3)28(14-21-16(2)26-29-18(21)4)24-22(9-11-25-23(15)24)27-12-10-19-7-5-6-8-20(19)13-27/h5-9,11H,10,12-14H2,1-4H3
InChIKeyXKPZWPAHAMINSB-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.87
Rot. Bonds3

About 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 11625979) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID11625979
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(C)c(C)c2nccc(N3CCc4ccccc4C3)c21
InChIInChI=1S/C24H26N4O/c1-15-17(3)28(14-21-16(2)26-29-18(21)4)24-22(9-11-25-23(15)24)27-12-10-19-7-5-6-8-20(19)13-27/h5-9,11H,10,12-14H2,1-4H3
InChIKeyXKPZWPAHAMINSB-UHFFFAOYSA-N
XLogP4.87
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 11625979) is 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1c(C)c(C)c2nccc(N3CCc4ccccc4C3)c21.
What is the InChIKey of 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XKPZWPAHAMINSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-17(3)28(14-21-16(2)26-29-18(21)4)24-22(9-11-25-23(15)24)27-12-10-19-7-5-6-8-20(19)13-27/h5-9,11H,10,12-14H2,1-4H3.
What are the key properties of 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 386.50 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[3,2-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 11625979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).