[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol

C25H20F2N6O2 — CID 118954896

IUPAC[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol
SMILESOC(c1cn2ccnc2cn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C25H20F2N6O2/c26-19-11-20(27)18(25(34)22-13-33-4-3-28-23(33)12-29-22)10-17(19)24-16-2-1-15(9-21(16)30-14-31-24)32-5-7-35-8-6-32/h1-4,9-14,25,34H,5-8H2
InChIKeyFRGZDZJCSYUKHF-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.54
Rot. Bonds4

About [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol

[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol (PubChem CID 118954896) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol.

Molecular Properties

Compound Name[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol
PubChem CID118954896
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Name[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol
SMILESOC(c1cn2ccnc2cn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F
InChIInChI=1S/C25H20F2N6O2/c26-19-11-20(27)18(25(34)22-13-33-4-3-28-23(33)12-29-22)10-17(19)24-16-2-1-15(9-21(16)30-14-31-24)32-5-7-35-8-6-32/h1-4,9-14,25,34H,5-8H2
InChIKeyFRGZDZJCSYUKHF-UHFFFAOYSA-N
XLogP3.54
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol?
The IUPAC name of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol (CID 118954896) is [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol.
What is the SMILES notation for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol?
The canonical SMILES for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol is OC(c1cn2ccnc2cn1)c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F.
What is the InChIKey of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol?
The InChIKey is FRGZDZJCSYUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c26-19-11-20(27)18(25(34)22-13-33-4-3-28-23(33)12-29-22)10-17(19)24-16-2-1-15(9-21(16)30-14-31-24)32-5-7-35-8-6-32/h1-4,9-14,25,34H,5-8H2.
What are the key properties of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol?
[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol has a molecular weight of 474.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-6-ylmethanol is sourced from PubChem (CID 118954896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).