5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

C20H16N6O2 — CID 155884214

IUPAC5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESCC1=C(c2nc3cnccc3o2)C(=O)N2NC(C#N)C(c3ccccc3)C2N1
InChIInChI=1S/C20H16N6O2/c1-11-16(19-24-14-10-22-8-7-15(14)28-19)20(27)26-18(23-11)17(13(9-21)25-26)12-5-3-2-4-6-12/h2-8,10,13,17-18,23,25H,1H3
InChIKeyNWGXAFKRKAWBQZ-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.91
Rot. Bonds2

About 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile

5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (PubChem CID 155884214) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
PubChem CID155884214
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
SMILESCC1=C(c2nc3cnccc3o2)C(=O)N2NC(C#N)C(c3ccccc3)C2N1
InChIInChI=1S/C20H16N6O2/c1-11-16(19-24-14-10-22-8-7-15(14)28-19)20(27)26-18(23-11)17(13(9-21)25-26)12-5-3-2-4-6-12/h2-8,10,13,17-18,23,25H,1H3
InChIKeyNWGXAFKRKAWBQZ-UHFFFAOYSA-N
XLogP1.91
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile with MolForge

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Related Compounds

6-(6-amino-4-methoxy-[1,3]oxazolo[4,5-c]pyridin-2-yl)-5-methyl-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
CID 155884168
6-(4-methoxy-1,3-benzoxazol-2-yl)-7-oxo-3-phenyl-5-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile
CID 155884072
6-(4-methoxy-1,3-benzoxazol-2-yl)-2,5-dimethyl-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155883997
2-methoxy-6-(4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884019
6-(4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-2-(oxan-4-yloxy)-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884034
6-(6-chloro-4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884059
6-(7-amino-4-methoxy-1,3-benzoxazol-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884104
5-methyl-3-pyridin-3-yl-6-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155883992
[2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-benzoxazol-4-yl] N,N-dimethylcarbamate
CID 155884042
5-methyl-6-[5-(6-oxo-1H-pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884298
5-methyl-6-[5-[(3R)-oxan-3-yl]-1,3,4-oxadiazol-2-yl]-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884240
6-(4-methoxy-1,3-benzoxazol-2-yl)-3-(2-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The IUPAC name of 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile (CID 155884214) is 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is CC1=C(c2nc3cnccc3o2)C(=O)N2NC(C#N)C(c3ccccc3)C2N1.
What is the InChIKey of 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
The InChIKey is NWGXAFKRKAWBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-11-16(19-24-14-10-22-8-7-15(14)28-19)20(27)26-18(23-11)17(13(9-21)25-26)12-5-3-2-4-6-12/h2-8,10,13,17-18,23,25H,1H3.
What are the key properties of 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile?
5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile has a molecular weight of 372.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-7-oxo-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-2-carbonitrile is sourced from PubChem (CID 155884214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).