[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol

C25H21FN6O2 — CID 118954912

IUPAC[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1F)c1nccn2ccnc12
InChIInChI=1S/C25H21FN6O2/c26-20-4-1-16(13-19(20)24(33)23-25-28-6-8-32(25)7-5-27-23)22-18-3-2-17(14-21(18)29-15-30-22)31-9-11-34-12-10-31/h1-8,13-15,24,33H,9-12H2
InChIKeySQAFIECUCNRFEB-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.40
Rot. Bonds4

About [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol

[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol (PubChem CID 118954912) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol.

Molecular Properties

Compound Name[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol
PubChem CID118954912
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC Name[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1F)c1nccn2ccnc12
InChIInChI=1S/C25H21FN6O2/c26-20-4-1-16(13-19(20)24(33)23-25-28-6-8-32(25)7-5-27-23)22-18-3-2-17(14-21(18)29-15-30-22)31-9-11-34-12-10-31/h1-8,13-15,24,33H,9-12H2
InChIKeySQAFIECUCNRFEB-UHFFFAOYSA-N
XLogP3.40
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol?
The IUPAC name of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol (CID 118954912) is [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol.
What is the SMILES notation for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol?
The canonical SMILES for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol is OC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)ccc1F)c1nccn2ccnc12.
What is the InChIKey of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol?
The InChIKey is SQAFIECUCNRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-20-4-1-16(13-19(20)24(33)23-25-28-6-8-32(25)7-5-27-23)22-18-3-2-17(14-21(18)29-15-30-22)31-9-11-34-12-10-31/h1-8,13-15,24,33H,9-12H2.
What are the key properties of [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol?
[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol has a molecular weight of 456.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-imidazo[1,2-a]pyrazin-8-ylmethanol is sourced from PubChem (CID 118954912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).