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FZB

C17H22N4O — CID 122180556

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+
InChIKeyHBGWEOSHQILMON-AGUYFDCRSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds2

About FZB

FZB (PubChem CID 122180556) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound NameFZB
PubChem CID122180556
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one
SMILESCc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O
InChIInChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+
InChIKeyHBGWEOSHQILMON-AGUYFDCRSA-N
XLogP2.27
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of FZB?
The IUPAC name of FZB (CID 122180556) is 3-methyl-8-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for FZB?
The canonical SMILES for FZB is Cc1cc2ccnc(NC3C[C@H]4CC[C@@H](C3)N4C)c2[nH]c1=O.
What is the InChIKey of FZB?
The InChIKey is HBGWEOSHQILMON-AGUYFDCRSA-N. The full InChI is InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12?,13-,14+.
What are the key properties of FZB?
FZB has a molecular weight of 298.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for FZB is sourced from PubChem (CID 122180556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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