(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one

C24H22F3N7O3 — CID 122601705

IUPAC(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)[C@@H](C)Oc2c(C(F)(F)F)ccnc21
InChIInChI=1S/C24H22F3N7O3/c1-12-17(11-34-20-19(37-13(2)21(34)35)15(5-6-28-20)24(25,26)27)33-10-16(29-9-18(33)32-12)14-7-30-22(31-8-14)23(3,4)36/h5-10,13,36H,11H2,1-4H3/t13-/m1/s1
InChIKeyRTVJJRVNHLAYJL-CYBMUJFWSA-N
MW513.48 g/mol
LogP3.45
Rot. Bonds4

About (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one

(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122601705) has the molecular formula C24H22F3N7O3 and a molecular weight of 513.48 g/mol. Its IUPAC name is (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122601705
Molecular FormulaC24H22F3N7O3
Molecular Weight513.48 g/mol
Exact Mass513.17
IUPAC Name(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)[C@@H](C)Oc2c(C(F)(F)F)ccnc21
InChIInChI=1S/C24H22F3N7O3/c1-12-17(11-34-20-19(37-13(2)21(34)35)15(5-6-28-20)24(25,26)27)33-10-16(29-9-18(33)32-12)14-7-30-22(31-8-14)23(3,4)36/h5-10,13,36H,11H2,1-4H3/t13-/m1/s1
InChIKeyRTVJJRVNHLAYJL-CYBMUJFWSA-N
XLogP3.45
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 122601705) is (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one is Cc1nc2cnc(-c3cnc(C(C)(C)O)nc3)cn2c1CN1C(=O)[C@@H](C)Oc2c(C(F)(F)F)ccnc21.
What is the InChIKey of (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is RTVJJRVNHLAYJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H22F3N7O3/c1-12-17(11-34-20-19(37-13(2)21(34)35)15(5-6-28-20)24(25,26)27)33-10-16(29-9-18(33)32-12)14-7-30-22(31-8-14)23(3,4)36/h5-10,13,36H,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one?
(2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 513.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylimidazo[1,2-a]pyrazin-3-yl]methyl]-2-methyl-8-(trifluoromethyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).