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

C24H22N8O2 — CID 118340834

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(C)c4ncccc34)c12
InChIInChI=1S/C24H22N8O2/c1-11-19(12(2)34-31-11)16-9-17-15(10-18(16)33-5)20-22(28-17)26-13(3)27-23(20)29-21-14-7-6-8-25-24(14)32(4)30-21/h6-10H,1-5H3,(H2,26,27,28,29,30)
InChIKeyLLUPRKKCIJTTEB-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.73
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118340834) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-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-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID118340834
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(C)c4ncccc34)c12
InChIInChI=1S/C24H22N8O2/c1-11-19(12(2)34-31-11)16-9-17-15(10-18(16)33-5)20-22(28-17)26-13(3)27-23(20)29-21-14-7-6-8-25-24(14)32(4)30-21/h6-10H,1-5H3,(H2,26,27,28,29,30)
InChIKeyLLUPRKKCIJTTEB-UHFFFAOYSA-N
XLogP4.73
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-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-(1-methylpyrazolo[5,4-b]pyridin-3-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-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine (CID 118340834) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-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-methylpyrazolo[5,4-b]pyridin-3-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-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(C)c4ncccc34)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is LLUPRKKCIJTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-11-19(12(2)34-31-11)16-9-17-15(10-18(16)33-5)20-22(28-17)26-13(3)27-23(20)29-21-14-7-6-8-25-24(14)32(4)30-21/h6-10H,1-5H3,(H2,26,27,28,29,30).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 454.49 g/mol, XLogP of 4.73, 4 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-2-methyl-N-(1-methylpyrazolo[5,4-b]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118340834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).