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

C26H21F2N5O2 — CID 118954760

IUPAC[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nccn2cccc12
InChIInChI=1S/C26H21F2N5O2/c27-20-14-21(28)19(26(34)25-23-2-1-6-33(23)7-5-29-25)13-18(20)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
InChIKeyWWULIMQUQVVHHC-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.14
Rot. Bonds4

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

[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (PubChem CID 118954760) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.

Molecular Properties

Compound Name[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
PubChem CID118954760
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol
SMILESOC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nccn2cccc12
InChIInChI=1S/C26H21F2N5O2/c27-20-14-21(28)19(26(34)25-23-2-1-6-33(23)7-5-29-25)13-18(20)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2
InChIKeyWWULIMQUQVVHHC-UHFFFAOYSA-N
XLogP4.14
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The IUPAC name of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol (CID 118954760) is [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol.
What is the SMILES notation for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The canonical SMILES for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is OC(c1cc(-c2ncnc3cc(N4CCOCC4)ccc23)c(F)cc1F)c1nccn2cccc12.
What is the InChIKey of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
The InChIKey is WWULIMQUQVVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c27-20-14-21(28)19(26(34)25-23-2-1-6-33(23)7-5-29-25)13-18(20)24-17-4-3-16(12-22(17)30-15-31-24)32-8-10-35-11-9-32/h1-7,12-15,26,34H,8-11H2.
What are the key properties of [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol?
[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol has a molecular weight of 473.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrrolo[1,2-a]pyrazin-1-ylmethanol is sourced from PubChem (CID 118954760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).