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

C22H22N4O — CID 68994721

IUPAC4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)CN(C)CC2c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H22N4O/c1-13-22(14(2)27-25-13)16-4-6-19-18(9-16)11-26(3)12-20(19)15-5-7-21-17(8-15)10-23-24-21/h4-10,20H,11-12H2,1-3H3,(H,23,24)
InChIKeyGGUNTQMIWPCKNS-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.41
Rot. Bonds2

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

4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 68994721) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID68994721
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2c(c1)CN(C)CC2c1ccc2[nH]ncc2c1
InChIInChI=1S/C22H22N4O/c1-13-22(14(2)27-25-13)16-4-6-19-18(9-16)11-26(3)12-20(19)15-5-7-21-17(8-15)10-23-24-21/h4-10,20H,11-12H2,1-3H3,(H,23,24)
InChIKeyGGUNTQMIWPCKNS-UHFFFAOYSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 68994721) is 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2c(c1)CN(C)CC2c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is GGUNTQMIWPCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-13-22(14(2)27-25-13)16-4-6-19-18(9-16)11-26(3)12-20(19)15-5-7-21-17(8-15)10-23-24-21/h4-10,20H,11-12H2,1-3H3,(H,23,24).
What are the key properties of 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 358.45 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 68994721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).