4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one

C23H21FN6O3 — CID 122601777

IUPAC4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)COc2ccncc21
InChIInChI=1S/C23H21FN6O3/c1-13-18(11-30-17-9-25-5-4-19(17)33-12-21(30)31)29-10-15(16(24)6-20(29)28-13)14-7-26-22(27-8-14)23(2,3)32/h4-10,32H,11-12H2,1-3H3
InChIKeyQXJDUEQROSJMGX-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.79
Rot. Bonds4

About 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one

4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 122601777) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one
PubChem CID122601777
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one
SMILESCc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)COc2ccncc21
InChIInChI=1S/C23H21FN6O3/c1-13-18(11-30-17-9-25-5-4-19(17)33-12-21(30)31)29-10-15(16(24)6-20(29)28-13)14-7-26-22(27-8-14)23(2,3)32/h4-10,32H,11-12H2,1-3H3
InChIKeyQXJDUEQROSJMGX-UHFFFAOYSA-N
XLogP2.79
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one (CID 122601777) is 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one is Cc1nc2cc(F)c(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)COc2ccncc21.
What is the InChIKey of 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is QXJDUEQROSJMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-13-18(11-30-17-9-25-5-4-19(17)33-12-21(30)31)29-10-15(16(24)6-20(29)28-13)14-7-26-22(27-8-14)23(2,3)32/h4-10,32H,11-12H2,1-3H3.
What are the key properties of 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one?
4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 448.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-fluoro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyridin-3-yl]methyl]pyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 122601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).