[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium

C22H22FN6+ — CID 170011836

IUPAC[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium
SMILESCc1cn2cc(-c3ccc4cc(/[N+](C)=C/C5CCNC5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C22H22FN6/c1-14-11-29-13-17(8-19(23)22(29)26-14)20-4-3-16-7-18(10-25-21(16)27-20)28(2)12-15-5-6-24-9-15/h3-4,7-8,10-13,15,24H,5-6,9H2,1-2H3/q+1/b28-12+
InChIKeyUJYBFFBWWFVZOL-KVSWJAHQSA-N
MW389.46 g/mol
LogP3.35
Rot. Bonds3

About [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium

[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium (PubChem CID 170011836) has the molecular formula C22H22FN6+ and a molecular weight of 389.46 g/mol. Its IUPAC name is [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium.

Molecular Properties

Compound Name[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium
PubChem CID170011836
Molecular FormulaC22H22FN6+
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium
SMILESCc1cn2cc(-c3ccc4cc(/[N+](C)=C/C5CCNC5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C22H22FN6/c1-14-11-29-13-17(8-19(23)22(29)26-14)20-4-3-16-7-18(10-25-21(16)27-20)28(2)12-15-5-6-24-9-15/h3-4,7-8,10-13,15,24H,5-6,9H2,1-2H3/q+1/b28-12+
InChIKeyUJYBFFBWWFVZOL-KVSWJAHQSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium?
The IUPAC name of [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium (CID 170011836) is [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium.
What is the SMILES notation for [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium?
The canonical SMILES for [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium is Cc1cn2cc(-c3ccc4cc(/[N+](C)=C/C5CCNC5)cnc4n3)cc(F)c2n1.
What is the InChIKey of [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium?
The InChIKey is UJYBFFBWWFVZOL-KVSWJAHQSA-N. The full InChI is InChI=1S/C22H22FN6/c1-14-11-29-13-17(8-19(23)22(29)26-14)20-4-3-16-7-18(10-25-21(16)27-20)28(2)12-15-5-6-24-9-15/h3-4,7-8,10-13,15,24H,5-6,9H2,1-2H3/q+1/b28-12+.
What are the key properties of [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium?
[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium has a molecular weight of 389.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium is sourced from PubChem (CID 170011836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).