4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine

C20H18ClFN6 — CID 168979090

IUPAC4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
SMILESCc1cn2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C20H18ClFN6/c1-12-10-28-11-13(6-17(22)20(28)25-12)18-8-16(21)15-7-14(9-24-19(15)26-18)27-4-2-23-3-5-27/h6-11,23H,2-5H2,1H3
InChIKeyFOFVZSGXNZIVPJ-UHFFFAOYSA-N
MW396.86 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine

4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine (PubChem CID 168979090) has the molecular formula C20H18ClFN6 and a molecular weight of 396.86 g/mol. Its IUPAC name is 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
PubChem CID168979090
Molecular FormulaC20H18ClFN6
Molecular Weight396.86 g/mol
Exact Mass396.13
IUPAC Name4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
SMILESCc1cn2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)cc(F)c2n1
InChIInChI=1S/C20H18ClFN6/c1-12-10-28-11-13(6-17(22)20(28)25-12)18-8-16(21)15-7-14(9-24-19(15)26-18)27-4-2-23-3-5-27/h6-11,23H,2-5H2,1H3
InChIKeyFOFVZSGXNZIVPJ-UHFFFAOYSA-N
XLogP3.46
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine?
The IUPAC name of 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine (CID 168979090) is 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine?
The canonical SMILES for 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine is Cc1cn2cc(-c3cc(Cl)c4cc(N5CCNCC5)cnc4n3)cc(F)c2n1.
What is the InChIKey of 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine?
The InChIKey is FOFVZSGXNZIVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN6/c1-12-10-28-11-13(6-17(22)20(28)25-12)18-8-16(21)15-7-14(9-24-19(15)26-18)27-4-2-23-3-5-27/h6-11,23H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine?
4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine has a molecular weight of 396.86 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine is sourced from PubChem (CID 168979090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).