7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C23H21F2N7O2 — CID 118245966

IUPAC7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)ccc1-c1cnn(C)c1
InChIInChI=1S/C23H21F2N7O2/c1-31-11-14(9-27-31)17-4-5-20(28-22(17)33-3)29-23-26-10-19-21(30-23)32(2)18(12-34-19)13-6-15(24)8-16(25)7-13/h4-11,18H,12H2,1-3H3,(H,26,28,29,30)
InChIKeyONUUYXURZCCZDR-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.87
Rot. Bonds5

About 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 118245966) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID118245966
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCOc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)ccc1-c1cnn(C)c1
InChIInChI=1S/C23H21F2N7O2/c1-31-11-14(9-27-31)17-4-5-20(28-22(17)33-3)29-23-26-10-19-21(30-23)32(2)18(12-34-19)13-6-15(24)8-16(25)7-13/h4-11,18H,12H2,1-3H3,(H,26,28,29,30)
InChIKeyONUUYXURZCCZDR-UHFFFAOYSA-N
XLogP3.87
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 118245966) is 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is COc1nc(Nc2ncc3c(n2)N(C)C(c2cc(F)cc(F)c2)CO3)ccc1-c1cnn(C)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is ONUUYXURZCCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-31-11-14(9-27-31)17-4-5-20(28-22(17)33-3)29-23-26-10-19-21(30-23)32(2)18(12-34-19)13-6-15(24)8-16(25)7-13/h4-11,18H,12H2,1-3H3,(H,26,28,29,30).
What are the key properties of 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 465.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-N-[6-methoxy-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 118245966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).