3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

C27H23FN6O2 — CID 118102271

IUPAC3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30)
InChIKeyOXEOQHZPVPJZHP-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.46
Rot. Bonds7

About 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine

3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 118102271) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID118102271
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CC5)n5ccnc(N)c45)cc3)c2)cn1
InChIInChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30)
InChIKeyOXEOQHZPVPJZHP-UHFFFAOYSA-N
XLogP5.46
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine (CID 118102271) is 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nc(C5CC5)n5ccnc(N)c45)cc3)c2)cn1.
What is the InChIKey of 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is OXEOQHZPVPJZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30).
What are the key properties of 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine?
3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 482.52 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 118102271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).