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

C25H22N4O3 — CID 137245614

IUPAC4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NCN=C3c1c(C)oc2ccccc12
InChIInChI=1S/C25H22N4O3/c1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22/h5-10,27-28H,11H2,1-4H3
InChIKeyWLYKYQSNUFVLLU-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.72
Rot. Bonds3

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

4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 137245614) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID137245614
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NCN=C3c1c(C)oc2ccccc12
InChIInChI=1S/C25H22N4O3/c1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22/h5-10,27-28H,11H2,1-4H3
InChIKeyWLYKYQSNUFVLLU-UHFFFAOYSA-N
XLogP5.72
TPSA88.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-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

Related Compounds

4-[8-methoxy-1-(4-phenylphenyl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 78323024
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-yl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide
CID 136932979
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine
CID 118348585
4-[6-methoxy-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90395619
4-(6-methoxy-4-naphthalen-1-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 129212418
4-[1-(2-ethylphenyl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 123920149
cumene;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 144912740
4-(4-chloro-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 118340553
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N-(1-methylindazol-3-yl)-5H-pyrido[4,3-b]indol-1-amine
CID 118340779
4-[1-(3,5-dimethyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 90388486
4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-quinolin-4-yl-9H-pyrimido[4,5-b]indol-2-yl]methyl]morpholine
CID 90395763
3-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N,N-diethylaniline
CID 90395812

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 137245614) is 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NCN=C3c1c(C)oc2ccccc12.
What is the InChIKey of 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WLYKYQSNUFVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-12-21(14(3)32-29-12)17-9-18-16(10-20(17)30-4)23-24(26-11-27-25(23)28-18)22-13(2)31-19-8-6-5-7-15(19)22/h5-10,27-28H,11H2,1-4H3.
What are the key properties of 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 426.48 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 137245614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).