1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol

C22H22F2N6O — CID 25016361

IUPAC1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
SMILESCCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C22H22F2N6O/c1-4-16-20-29-18(14-6-5-13(23)11-15(14)24)19(30(20)10-9-25-16)17-7-8-26-21(28-17)27-12-22(2,3)31/h5-11,31H,4,12H2,1-3H3,(H,26,27,28)
InChIKeyKKWLJUDRBFHJPA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.88
Rot. Bonds6

About 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol

1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 25016361) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID25016361
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
SMILESCCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C22H22F2N6O/c1-4-16-20-29-18(14-6-5-13(23)11-15(14)24)19(30(20)10-9-25-16)17-7-8-26-21(28-17)27-12-22(2,3)31/h5-11,31H,4,12H2,1-3H3,(H,26,27,28)
InChIKeyKKWLJUDRBFHJPA-UHFFFAOYSA-N
XLogP3.88
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol (CID 25016361) is 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol is CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is KKWLJUDRBFHJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-4-16-20-29-18(14-6-5-13(23)11-15(14)24)19(30(20)10-9-25-16)17-7-8-26-21(28-17)27-12-22(2,3)31/h5-11,31H,4,12H2,1-3H3,(H,26,27,28).
What are the key properties of 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 424.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2,4-difluorophenyl)-8-ethylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 25016361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).