3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine

C20H19FN6 — CID 146585455

IUPAC3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2cc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C20H19FN6/c1-12-10-27-11-15(8-16(21)20(27)23-12)19-24-17-3-2-14(9-18(17)25-26-19)13-4-6-22-7-5-13/h2-3,8-11,13,22H,4-7H2,1H3
InChIKeyNVUIXVOWHLBXID-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.25
Rot. Bonds2

About 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine

3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine (PubChem CID 146585455) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
PubChem CID146585455
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
SMILESCc1cn2cc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C20H19FN6/c1-12-10-27-11-15(8-16(21)20(27)23-12)19-24-17-3-2-14(9-18(17)25-26-19)13-4-6-22-7-5-13/h2-3,8-11,13,22H,4-7H2,1H3
InChIKeyNVUIXVOWHLBXID-UHFFFAOYSA-N
XLogP3.25
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The IUPAC name of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine (CID 146585455) is 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine.
What is the SMILES notation for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The canonical SMILES for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine is Cc1cn2cc(-c3nnc4cc(C5CCNCC5)ccc4n3)cc(F)c2n1.
What is the InChIKey of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
The InChIKey is NVUIXVOWHLBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-12-10-27-11-15(8-16(21)20(27)23-12)19-24-17-3-2-14(9-18(17)25-26-19)13-4-6-22-7-5-13/h2-3,8-11,13,22H,4-7H2,1H3.
What are the key properties of 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine?
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine has a molecular weight of 362.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine is sourced from PubChem (CID 146585455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).