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

C24H24F2N6O — CID 25016360

IUPAC1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1
InChIInChI=1S/C24H24F2N6O/c1-24(2,33)13-29-23-28-8-7-18(30-23)21-20(16-6-5-15(25)12-17(16)26)31-22-19(11-14-3-4-14)27-9-10-32(21)22/h5-10,12,14,33H,3-4,11,13H2,1-2H3,(H,28,29,30)
InChIKeySXBYKNSSEVQWPL-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.27
Rot. Bonds7

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

1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 25016360) has the molecular formula C24H24F2N6O and a molecular weight of 450.49 g/mol. Its IUPAC name is 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
PubChem CID25016360
Molecular FormulaC24H24F2N6O
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1
InChIInChI=1S/C24H24F2N6O/c1-24(2,33)13-29-23-28-8-7-18(30-23)21-20(16-6-5-15(25)12-17(16)26)31-22-19(11-14-3-4-14)27-9-10-32(21)22/h5-10,12,14,33H,3-4,11,13H2,1-2H3,(H,28,29,30)
InChIKeySXBYKNSSEVQWPL-UHFFFAOYSA-N
XLogP4.27
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol (CID 25016360) is 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3c(CC4CC4)nccn23)n1.
What is the InChIKey of 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is SXBYKNSSEVQWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O/c1-24(2,33)13-29-23-28-8-7-18(30-23)21-20(16-6-5-15(25)12-17(16)26)31-22-19(11-14-3-4-14)27-9-10-32(21)22/h5-10,12,14,33H,3-4,11,13H2,1-2H3,(H,28,29,30).
What are the key properties of 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol?
1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 450.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[8-(cyclopropylmethyl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 25016360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).