4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C17H17N5O2 — CID 90454836

IUPAC4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2ccc(=O)n(C)c2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C17H17N5O2/c1-10(2)14-15(11-5-6-13(23)20(3)9-11)21(4)16-12(7-18)8-19-22(16)17(14)24/h5-6,8-10H,1-4H3
InChIKeyQFUBMKABTKPQRF-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.39
Rot. Bonds2

About 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454836) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454836
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2ccc(=O)n(C)c2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C17H17N5O2/c1-10(2)14-15(11-5-6-13(23)20(3)9-11)21(4)16-12(7-18)8-19-22(16)17(14)24/h5-6,8-10H,1-4H3
InChIKeyQFUBMKABTKPQRF-UHFFFAOYSA-N
XLogP1.39
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454836) is 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2ccc(=O)n(C)c2)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QFUBMKABTKPQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10(2)14-15(11-5-6-13(23)20(3)9-11)21(4)16-12(7-18)8-19-22(16)17(14)24/h5-6,8-10H,1-4H3.
What are the key properties of 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).