7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

C27H24N6O4 — CID 118340909

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c(-c2ncco2)c1
InChIInChI=1S/C27H24N6O4/c1-13-23(14(2)37-33-13)19-11-21-17(12-22(19)35-5)24-25(29-15(3)30-26(24)32-21)31-20-7-6-16(34-4)10-18(20)27-28-8-9-36-27/h6-12H,1-5H3,(H2,29,30,31,32)
InChIKeyDPPSOLQSBCDJBJ-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.11
Rot. Bonds6

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118340909) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID118340909
Molecular FormulaC27H24N6O4
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1ccc(Nc2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c(-c2ncco2)c1
InChIInChI=1S/C27H24N6O4/c1-13-23(14(2)37-33-13)19-11-21-17(12-22(19)35-5)24-25(29-15(3)30-26(24)32-21)31-20-7-6-16(34-4)10-18(20)27-28-8-9-36-27/h6-12H,1-5H3,(H2,29,30,31,32)
InChIKeyDPPSOLQSBCDJBJ-UHFFFAOYSA-N
XLogP6.11
TPSA124.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine with MolForge

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(5-methyl-1-propan-2-ylimidazol-2-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340549
N-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-3,4-dimethyl-1,2-oxazol-5-amine
CID 118340713
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340883
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340566
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylimidazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340696
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340691
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340608
N-(3-chloro-5-fluorophenyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340881
4-[6-methoxy-2-methyl-4-[[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158911701
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(4-propan-2-yl-2,3-dihydro-1H-pyrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 146201922
N-(3-tert-butyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340796
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340744

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine (CID 118340909) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine is COc1ccc(Nc2nc(C)nc3[nH]c4cc(-c5c(C)noc5C)c(OC)cc4c23)c(-c2ncco2)c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is DPPSOLQSBCDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-13-23(14(2)37-33-13)19-11-21-17(12-22(19)35-5)24-25(29-15(3)30-26(24)32-21)31-20-7-6-16(34-4)10-18(20)27-28-8-9-36-27/h6-12H,1-5H3,(H2,29,30,31,32).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 496.53 g/mol, XLogP of 6.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N-[4-methoxy-2-(1,3-oxazol-2-yl)phenyl]-2-methyl-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).