2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C20H18FN5O — CID 168867938

IUPAC2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)C3)c2cn[nH]c2n1
InChIInChI=1S/C20H18FN5O/c1-11-9-26-20(27-10-11)17(18(25-26)13-3-5-14(21)6-4-13)15-7-12(2)23-19-16(15)8-22-24-19/h3-8,11H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyNPTFPWLCFDLKAZ-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 168867938) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID168867938
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)C3)c2cn[nH]c2n1
InChIInChI=1S/C20H18FN5O/c1-11-9-26-20(27-10-11)17(18(25-26)13-3-5-14(21)6-4-13)15-7-12(2)23-19-16(15)8-22-24-19/h3-8,11H,9-10H2,1-2H3,(H,22,23,24)
InChIKeyNPTFPWLCFDLKAZ-UHFFFAOYSA-N
XLogP3.96
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

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Related Compounds

2-(4-fluorophenyl)-6-methyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 168867959
2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001953
(7S)-2-(4-fluorophenyl)-7-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306075
4-[5-fluoro-2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760724
4-[(6S)-2-(5-fluoro-2-pyridinyl)-6-(methoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169305894
4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 162760154
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013
4-[(6S)-6-[dideuterio(trideuteriomethoxy)methyl]-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 169305961
(6R)-6-(fluoromethyl)-2-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169305874
4-[2-(4-fluorophenyl)-5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760320
2-(3,5-difluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 162760250
4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760469

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 168867938) is 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)C3)c2cn[nH]c2n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is NPTFPWLCFDLKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-11-9-26-20(27-10-11)17(18(25-26)13-3-5-14(21)6-4-13)15-7-12(2)23-19-16(15)8-22-24-19/h3-8,11H,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 363.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 168867938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).