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

C27H27N7O2 — CID 118348585

IUPAC7-(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
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1n[nH]c(C)c1-c1ccccc1
InChIInChI=1S/C27H27N7O2/c1-13-23(17-9-7-6-8-10-17)27(33-32-13)31-26-24-18-12-21(35-5)19(22-14(2)34-36-15(22)3)11-20(18)30-25(24)28-16(4)29-26/h6-12,16,28,30H,1-5H3,(H2,29,31,32,33)
InChIKeyYQLDTLGTQPJJTF-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.78
Rot. Bonds4

About 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

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 (PubChem CID 118348585) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID118348585
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name7-(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
SMILESCOc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1n[nH]c(C)c1-c1ccccc1
InChIInChI=1S/C27H27N7O2/c1-13-23(17-9-7-6-8-10-17)27(33-32-13)31-26-24-18-12-21(35-5)19(22-14(2)34-36-15(22)3)11-20(18)30-25(24)28-16(4)29-26/h6-12,16,28,30H,1-5H3,(H2,29,31,32,33)
InChIKeyYQLDTLGTQPJJTF-UHFFFAOYSA-N
XLogP5.78
TPSA116.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c3c([nH]c2cc1-c1c(C)noc1C)NC(C)N=C3Nc1n[nH]c(C)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is YQLDTLGTQPJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-13-23(17-9-7-6-8-10-17)27(33-32-13)31-26-24-18-12-21(35-5)19(22-14(2)34-36-15(22)3)11-20(18)30-25(24)28-16(4)29-26/h6-12,16,28,30H,1-5H3,(H2,29,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 481.56 g/mol, XLogP of 5.78, 4 rotatable bonds, 4 hydrogen bond donors, and 7 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-(5-methyl-4-phenyl-1H-pyrazol-3-yl)-2,9-dihydro-1H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118348585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).