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

C25H27N5O2S — CID 157265027

IUPAC4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3sc(C)nc3C(C)C)c12
InChIInChI=1S/C25H27N5O2S/c1-11(2)24-21(33-15(6)28-24)10-19-23-16-9-20(31-7)17(22-12(3)30-32-13(22)4)8-18(16)29-25(23)27-14(5)26-19/h8-9,11H,10H2,1-7H3,(H,26,27,29)
InChIKeyAXWYTBDUANSARY-UHFFFAOYSA-N
MW461.59 g/mol
LogP6.18
Rot. Bonds5

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

4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157265027) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID157265027
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3sc(C)nc3C(C)C)c12
InChIInChI=1S/C25H27N5O2S/c1-11(2)24-21(33-15(6)28-24)10-19-23-16-9-20(31-7)17(22-12(3)30-32-13(22)4)8-18(16)29-25(23)27-14(5)26-19/h8-9,11H,10H2,1-7H3,(H,26,27,29)
InChIKeyAXWYTBDUANSARY-UHFFFAOYSA-N
XLogP6.18
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[4-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 160962540
4-[4-[(1-ethyl-3-propan-2-ylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158061373
4-[4-[(2-tert-butylpyrazol-3-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 152950941
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)-N-(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340744
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-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]-N-ethyl-5-propan-2-yl-1H-pyrrole-2-carboxamide
CID 90388373
3-(3-chlorophenyl)-4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]methyl]-5-methyl-1,2-oxazole
CID 130266009
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;1,5-dimethyl-3-propan-2-ylpyrazol-4-amine;4-[4-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 160962539
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)-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
4-[6-methoxy-2-methyl-4-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 118340589

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 157265027) is 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3sc(C)nc3C(C)C)c12.
What is the InChIKey of 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is AXWYTBDUANSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-11(2)24-21(33-15(6)28-24)10-19-23-16-9-20(31-7)17(22-12(3)30-32-13(22)4)8-18(16)29-25(23)27-14(5)26-19/h8-9,11H,10H2,1-7H3,(H,26,27,29).
What are the key properties of 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 461.59 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-2-methyl-4-[(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157265027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).