4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine

C25H20F2N6O — CID 135268702

IUPAC4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
SMILESFc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cn2ccnc2cn1
InChIInChI=1S/C25H20F2N6O/c26-21-12-22(27)20(10-16(21)9-17-14-33-4-3-28-24(33)13-29-17)25-19-2-1-18(11-23(19)30-15-31-25)32-5-7-34-8-6-32/h1-4,10-15H,5-9H2
InChIKeyMVNKDAYDOVNYDP-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.05
Rot. Bonds4

About 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine

4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine (PubChem CID 135268702) has the molecular formula C25H20F2N6O and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
PubChem CID135268702
Molecular FormulaC25H20F2N6O
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
SMILESFc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cn2ccnc2cn1
InChIInChI=1S/C25H20F2N6O/c26-21-12-22(27)20(10-16(21)9-17-14-33-4-3-28-24(33)13-29-17)25-19-2-1-18(11-23(19)30-15-31-25)32-5-7-34-8-6-32/h1-4,10-15H,5-9H2
InChIKeyMVNKDAYDOVNYDP-UHFFFAOYSA-N
XLogP4.05
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine (CID 135268702) is 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine is Fc1cc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cn2ccnc2cn1.
What is the InChIKey of 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine?
The InChIKey is MVNKDAYDOVNYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O/c26-21-12-22(27)20(10-16(21)9-17-14-33-4-3-28-24(33)13-29-17)25-19-2-1-18(11-23(19)30-15-31-25)32-5-7-34-8-6-32/h1-4,10-15H,5-9H2.
What are the key properties of 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine?
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine has a molecular weight of 458.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 135268702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).