2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C22H15ClF8N6O — CID 142611033

IUPAC2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F
InChIInChI=1S/C22H15ClF8N6O/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36)
InChIKeyOYGHQKUZMZHMNE-UHFFFAOYSA-N
MW566.84 g/mol
LogP5.28
Rot. Bonds6

About 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 142611033) has the molecular formula C22H15ClF8N6O and a molecular weight of 566.84 g/mol. Its IUPAC name is 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID142611033
Molecular FormulaC22H15ClF8N6O
Molecular Weight566.84 g/mol
Exact Mass566.09
IUPAC Name2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F
InChIInChI=1S/C22H15ClF8N6O/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36)
InChIKeyOYGHQKUZMZHMNE-UHFFFAOYSA-N
XLogP5.28
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.84
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 142611033) is 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1c(F)cc(Cc2nc(-c3ncc(Cl)c(NCC(O)(C(F)(F)F)C(F)(F)F)n3)cn3ccnc23)cc1F.
What is the InChIKey of 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is OYGHQKUZMZHMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF8N6O/c1-10-13(24)4-11(5-14(10)25)6-15-19-32-2-3-37(19)8-16(35-15)18-33-7-12(23)17(36-18)34-9-20(38,21(26,27)28)22(29,30)31/h2-5,7-8,38H,6,9H2,1H3,(H,33,34,36).
What are the key properties of 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 566.84 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-chloro-2-[8-[(3,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]pyrimidin-4-yl]amino]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 142611033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).