5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline

C21H20FN5 — CID 142492349

IUPAC5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1
InChIInChI=1S/C21H20FN5/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14/h2-3,8-12,14,23H,4-7H2,1H3
InChIKeyQNYLXSZOTNXWJA-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.86
Rot. Bonds2

About 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline

5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline (PubChem CID 142492349) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline.

Molecular Properties

Compound Name5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
PubChem CID142492349
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC Name5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline
SMILESCc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1
InChIInChI=1S/C21H20FN5/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14/h2-3,8-12,14,23H,4-7H2,1H3
InChIKeyQNYLXSZOTNXWJA-UHFFFAOYSA-N
XLogP3.86
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline?
The IUPAC name of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline (CID 142492349) is 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline.
What is the SMILES notation for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline?
The canonical SMILES for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline is Cc1cn2cc(-c3cc(F)c4cc(C5CCNCC5)nnc4c3)ccc2n1.
What is the InChIKey of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline?
The InChIKey is QNYLXSZOTNXWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-13-11-27-12-15(2-3-21(27)24-13)16-8-18(22)17-10-19(25-26-20(17)9-16)14-4-6-23-7-5-14/h2-3,8-12,14,23H,4-7H2,1H3.
What are the key properties of 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline?
5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline has a molecular weight of 361.42 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylcinnoline is sourced from PubChem (CID 142492349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).