2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C20H16F4N6O — CID 169001936

IUPAC2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C(F)(F)F)C4)c12
InChIInChI=1S/C20H16F4N6O/c1-10-15-12(5-6-25-18(15)28-27-10)16-14-8-31-19(2,20(22,23)24)9-30(14)29-17(16)13-4-3-11(21)7-26-13/h3-7H,8-9H2,1-2H3,(H,25,27,28)
InChIKeyDLDXPDPDJCLTIK-UHFFFAOYSA-N
MW432.38 g/mol
LogP4.18
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 169001936) has the molecular formula C20H16F4N6O and a molecular weight of 432.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID169001936
Molecular FormulaC20H16F4N6O
Molecular Weight432.38 g/mol
Exact Mass432.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C(F)(F)F)C4)c12
InChIInChI=1S/C20H16F4N6O/c1-10-15-12(5-6-25-18(15)28-27-10)16-14-8-31-19(2,20(22,23)24)9-30(14)29-17(16)13-4-3-11(21)7-26-13/h3-7H,8-9H2,1-2H3,(H,25,27,28)
InChIKeyDLDXPDPDJCLTIK-UHFFFAOYSA-N
XLogP4.18
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 169001936) is 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is Cc1[nH]nc2nccc(-c3c(-c4ccc(F)cn4)nn4c3COC(C)(C(F)(F)F)C4)c12.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is DLDXPDPDJCLTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O/c1-10-15-12(5-6-25-18(15)28-27-10)16-14-8-31-19(2,20(22,23)24)9-30(14)29-17(16)13-4-3-11(21)7-26-13/h3-7H,8-9H2,1-2H3,(H,25,27,28).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 432.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 169001936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).