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

C23H20N8O2 — CID 118340672

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4cccnc34)c12
InChIInChI=1S/C23H20N8O2/c1-11-19(12(2)33-30-11)15-8-16-14(9-18(15)32-4)20-21(28-16)26-13(3)27-22(20)29-17-10-25-31-7-5-6-24-23(17)31/h5-10H,1-4H3,(H2,26,27,28,29)
InChIKeyQDTCBPOJXLLLAN-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.49
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 118340672) has the molecular formula C23H20N8O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-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-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID118340672
Molecular FormulaC23H20N8O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4cccnc34)c12
InChIInChI=1S/C23H20N8O2/c1-11-19(12(2)33-30-11)15-8-16-14(9-18(15)32-4)20-21(28-16)26-13(3)27-22(20)29-17-10-25-31-7-5-6-24-23(17)31/h5-10H,1-4H3,(H2,26,27,28,29)
InChIKeyQDTCBPOJXLLLAN-UHFFFAOYSA-N
XLogP4.49
TPSA119.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-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-pyrazolo[1,5-a]pyrimidin-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-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine (CID 118340672) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-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-pyrazolo[1,5-a]pyrimidin-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-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cnn4cccnc34)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is QDTCBPOJXLLLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O2/c1-11-19(12(2)33-30-11)15-8-16-14(9-18(15)32-4)20-21(28-16)26-13(3)27-22(20)29-17-10-25-31-7-5-6-24-23(17)31/h5-10H,1-4H3,(H2,26,27,28,29).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-N-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 440.47 g/mol, XLogP of 4.49, 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-pyrazolo[1,5-a]pyrimidin-3-yl-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 118340672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).