6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C25H20N4O2 — CID 134347358

IUPAC6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cn1
InChIInChI=1S/C25H20N4O2/c1-16-21(19-13-14-20(31-2)26-15-19)25(30)29-24(27-16)22(17-9-5-3-6-10-17)23(28-29)18-11-7-4-8-12-18/h3-15,28H,1-2H3
InChIKeyMZYQXSRQFUYFGX-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.74
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347358) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347358
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cn1
InChIInChI=1S/C25H20N4O2/c1-16-21(19-13-14-20(31-2)26-15-19)25(30)29-24(27-16)22(17-9-5-3-6-10-17)23(28-29)18-11-7-4-8-12-18/h3-15,28H,1-2H3
InChIKeyMZYQXSRQFUYFGX-UHFFFAOYSA-N
XLogP4.74
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134347358) is 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MZYQXSRQFUYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-21(19-13-14-20(31-2)26-15-19)25(30)29-24(27-16)22(17-9-5-3-6-10-17)23(28-29)18-11-7-4-8-12-18/h3-15,28H,1-2H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 408.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-5-methyl-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).