2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C23H27FN4O2 — CID 170960894

IUPAC2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2n(c1C)CCN(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O
InChIInChI=1S/C23H27FN4O2/c1-15-13-20-23(29)27(11-12-28(20)16(15)2)10-9-26-7-5-17(6-8-26)22-19-4-3-18(24)14-21(19)30-25-22/h3-4,13-14,17H,5-12H2,1-2H3
InChIKeyBEBALUBIGHMEKH-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.72
Rot. Bonds4

About 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 170960894) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID170960894
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc2n(c1C)CCN(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O
InChIInChI=1S/C23H27FN4O2/c1-15-13-20-23(29)27(11-12-28(20)16(15)2)10-9-26-7-5-17(6-8-26)22-19-4-3-18(24)14-21(19)30-25-22/h3-4,13-14,17H,5-12H2,1-2H3
InChIKeyBEBALUBIGHMEKH-UHFFFAOYSA-N
XLogP3.72
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 170960894) is 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is Cc1cc2n(c1C)CCN(CCN1CCC(c3noc4cc(F)ccc34)CC1)C2=O.
What is the InChIKey of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is BEBALUBIGHMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-15-13-20-23(29)27(11-12-28(20)16(15)2)10-9-26-7-5-17(6-8-26)22-19-4-3-18(24)14-21(19)30-25-22/h3-4,13-14,17H,5-12H2,1-2H3.
What are the key properties of 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 410.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 170960894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).