2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one

C16H14N4O — CID 157012412

IUPAC2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one
SMILESCc1nn2cccnc2c1-c1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C16H14N4O/c1-10-14(15-17-6-3-7-20(15)18-10)11-4-5-13-12(8-11)9-19(2)16(13)21/h3-8H,9H2,1-2H3
InChIKeyBZYDLPFMOWXPLY-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one

2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one (PubChem CID 157012412) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one
PubChem CID157012412
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one
SMILESCc1nn2cccnc2c1-c1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C16H14N4O/c1-10-14(15-17-6-3-7-20(15)18-10)11-4-5-13-12(8-11)9-19(2)16(13)21/h3-8H,9H2,1-2H3
InChIKeyBZYDLPFMOWXPLY-UHFFFAOYSA-N
XLogP2.29
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one (CID 157012412) is 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one is Cc1nn2cccnc2c1-c1ccc2c(c1)CN(C)C2=O.
What is the InChIKey of 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one?
The InChIKey is BZYDLPFMOWXPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-14(15-17-6-3-7-20(15)18-10)11-4-5-13-12(8-11)9-19(2)16(13)21/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one?
2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one has a molecular weight of 278.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 157012412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).