2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

C22H21FN4O — CID 169306126

IUPAC2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCc1cn2nccc2cc1-c1c(-c2ccc(F)cc2)nn2c1OCC(C)(C)C2
InChIInChI=1S/C22H21FN4O/c1-14-11-26-17(8-9-24-26)10-18(14)19-20(15-4-6-16(23)7-5-15)25-27-12-22(2,3)13-28-21(19)27/h4-11H,12-13H2,1-3H3
InChIKeyIKBMPAMDPVASMG-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.73
Rot. Bonds2

About 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine

2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (PubChem CID 169306126) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
PubChem CID169306126
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
SMILESCc1cn2nccc2cc1-c1c(-c2ccc(F)cc2)nn2c1OCC(C)(C)C2
InChIInChI=1S/C22H21FN4O/c1-14-11-26-17(8-9-24-26)10-18(14)19-20(15-4-6-16(23)7-5-15)25-27-12-22(2,3)13-28-21(19)27/h4-11H,12-13H2,1-3H3
InChIKeyIKBMPAMDPVASMG-UHFFFAOYSA-N
XLogP4.73
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine (CID 169306126) is 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is Cc1cn2nccc2cc1-c1c(-c2ccc(F)cc2)nn2c1OCC(C)(C)C2.
What is the InChIKey of 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IKBMPAMDPVASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-11-26-17(8-9-24-26)10-18(14)19-20(15-4-6-16(23)7-5-15)25-27-12-22(2,3)13-28-21(19)27/h4-11H,12-13H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine?
2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine has a molecular weight of 376.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 169306126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).