1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one

C17H19BrN4O — CID 133482933

IUPAC1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C17H19BrN4O/c18-12-10-14-17(20-11-12)15(3-6-19-14)21-8-4-13(5-9-21)22-7-1-2-16(22)23/h3,6,10-11,13H,1-2,4-5,7-9H2
InChIKeyHZHNRQJJACVQAD-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.98
Rot. Bonds2

About 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 133482933) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID133482933
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(c2ccnc3cc(Br)cnc23)CC1
InChIInChI=1S/C17H19BrN4O/c18-12-10-14-17(20-11-12)15(3-6-19-14)21-8-4-13(5-9-21)22-7-1-2-16(22)23/h3,6,10-11,13H,1-2,4-5,7-9H2
InChIKeyHZHNRQJJACVQAD-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one (CID 133482933) is 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(c2ccnc3cc(Br)cnc23)CC1.
What is the InChIKey of 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is HZHNRQJJACVQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-12-10-14-17(20-11-12)15(3-6-19-14)21-8-4-13(5-9-21)22-7-1-2-16(22)23/h3,6,10-11,13H,1-2,4-5,7-9H2.
What are the key properties of 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 375.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 133482933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).