4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C22H22N6O2 — CID 90395610

IUPAC4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3C)c12
InChIInChI=1S/C22H22N6O2/c1-10-18(12(3)28(5)26-10)21-20-14-8-17(29-6)15(19-11(2)27-30-13(19)4)7-16(14)25-22(20)24-9-23-21/h7-9H,1-6H3,(H,23,24,25)
InChIKeyNYQXIJGSGRXQON-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.41
Rot. Bonds3

About 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90395610) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90395610
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3C)c12
InChIInChI=1S/C22H22N6O2/c1-10-18(12(3)28(5)26-10)21-20-14-8-17(29-6)15(19-11(2)27-30-13(19)4)7-16(14)25-22(20)24-9-23-21/h7-9H,1-6H3,(H,23,24,25)
InChIKeyNYQXIJGSGRXQON-UHFFFAOYSA-N
XLogP4.41
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole 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 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 90395610) is 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)nn(C)c3C)c12.
What is the InChIKey of 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is NYQXIJGSGRXQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-10-18(12(3)28(5)26-10)21-20-14-8-17(29-6)15(19-11(2)27-30-13(19)4)7-16(14)25-22(20)24-9-23-21/h7-9H,1-6H3,(H,23,24,25).
What are the key properties of 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 402.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90395610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).