5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H16F3N5O2 — CID 155883988

IUPAC5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc3ncccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C20H16F3N5O2/c1-10-13(18-26-16-12(30-18)8-5-9-24-16)19(29)28-17(25-10)14(11-6-3-2-4-7-11)15(27-28)20(21,22)23/h2-9,14-15,17,25,27H,1H3
InChIKeyOGVXVNHECCPNEI-UHFFFAOYSA-N
MW415.38 g/mol
LogP2.94
Rot. Bonds2

About 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155883988) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155883988
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc3ncccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C20H16F3N5O2/c1-10-13(18-26-16-12(30-18)8-5-9-24-16)19(29)28-17(25-10)14(11-6-3-2-4-7-11)15(27-28)20(21,22)23/h2-9,14-15,17,25,27H,1H3
InChIKeyOGVXVNHECCPNEI-UHFFFAOYSA-N
XLogP2.94
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155883988) is 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1=C(c2nc3ncccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OGVXVNHECCPNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-10-13(18-26-16-12(30-18)8-5-9-24-16)19(29)28-17(25-10)14(11-6-3-2-4-7-11)15(27-28)20(21,22)23/h2-9,14-15,17,25,27H,1H3.
What are the key properties of 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 415.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155883988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).