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

C21H21N7O2 — CID 118340696

IUPAC7-(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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cn(C)cn3)c12
InChIInChI=1S/C21H21N7O2/c1-10-18(11(2)30-27-10)14-6-15-13(7-16(14)29-5)19-20(25-15)23-12(3)24-21(19)26-17-8-28(4)9-22-17/h6-9H,1-5H3,(H2,23,24,25,26)
InChIKeyKBONOCBIWCKUTN-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.18
Rot. Bonds4

About 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

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 (PubChem CID 118340696) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID118340696
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name7-(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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cn(C)cn3)c12
InChIInChI=1S/C21H21N7O2/c1-10-18(11(2)30-27-10)14-6-15-13(7-16(14)29-5)19-20(25-15)23-12(3)24-21(19)26-17-8-28(4)9-22-17/h6-9H,1-5H3,(H2,23,24,25,26)
InChIKeyKBONOCBIWCKUTN-UHFFFAOYSA-N
XLogP4.18
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(1,3,5-trimethylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 118340691
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-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340608
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
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-(3,5-diethyl-1-methylpyrazol-4-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118340733
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
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
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(fluoromethyl)-1-propan-2-ylpyrazol-5-yl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 118347560
3-cyclopropyl-5-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl]amino]pyrazole-1-carboxylic acid
CID 146190548

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cn(C)cn3)c12.
What is the InChIKey of 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?
The InChIKey is KBONOCBIWCKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-10-18(11(2)30-27-10)14-6-15-13(7-16(14)29-5)19-20(25-15)23-12(3)24-21(19)26-17-8-28(4)9-22-17/h6-9H,1-5H3,(H2,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 403.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118340696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).