N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine

C21H25FN5P — CID 153383239

IUPACN-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine
SMILESC/C(=N\c1cnc(-c2cc(F)c3nc(C)cn3c2)cc1C)PC1CCNCC1
InChIInChI=1S/C21H25FN5P/c1-13-8-19(16-9-18(22)21-25-14(2)11-27(21)12-16)24-10-20(13)26-15(3)28-17-4-6-23-7-5-17/h8-12,17,23,28H,4-7H2,1-3H3/b26-15+
InChIKeyPCOODGATERCAID-CVKSISIWSA-N
MW397.44 g/mol
LogP4.63
Rot. Bonds4

About N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine

N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine (PubChem CID 153383239) has the molecular formula C21H25FN5P and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine.

Molecular Properties

Compound NameN-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine
PubChem CID153383239
Molecular FormulaC21H25FN5P
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine
SMILESC/C(=N\c1cnc(-c2cc(F)c3nc(C)cn3c2)cc1C)PC1CCNCC1
InChIInChI=1S/C21H25FN5P/c1-13-8-19(16-9-18(22)21-25-14(2)11-27(21)12-16)24-10-20(13)26-15(3)28-17-4-6-23-7-5-17/h8-12,17,23,28H,4-7H2,1-3H3/b26-15+
InChIKeyPCOODGATERCAID-CVKSISIWSA-N
XLogP4.63
TPSA54.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4,5-dimethyl-2-pyridinyl)-8-fluoro-2-methylimidazo[1,2-a]pyridine
CID 153383007
N-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,6-dimethylphenyl]-1-piperidin-4-ylethanimine
CID 153383588
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yloxy-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
CID 153383026
6-(8-fluoro-2-pyrrolidin-3-ylimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593872
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 156888741
[7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1,8-naphthyridin-3-yl]-methyl-(pyrrolidin-3-ylmethylidene)azanium
CID 170011836
7-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156889114
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;2-methylpropane
CID 170593728
6-(2-cyclopent-3-en-1-yl-8-fluoroimidazo[1,2-a]pyridin-6-yl)-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170340773
4-chloro-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1,8-naphthyridine
CID 168979090

Frequently Asked Questions

What is the IUPAC name of N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine?
The IUPAC name of N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine (CID 153383239) is N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine.
What is the SMILES notation for N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine?
The canonical SMILES for N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine is C/C(=N\c1cnc(-c2cc(F)c3nc(C)cn3c2)cc1C)PC1CCNCC1.
What is the InChIKey of N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine?
The InChIKey is PCOODGATERCAID-CVKSISIWSA-N. The full InChI is InChI=1S/C21H25FN5P/c1-13-8-19(16-9-18(22)21-25-14(2)11-27(21)12-16)24-10-20(13)26-15(3)28-17-4-6-23-7-5-17/h8-12,17,23,28H,4-7H2,1-3H3/b26-15+.
What are the key properties of N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine?
N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine has a molecular weight of 397.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-methyl-3-pyridinyl]-1-piperidin-4-ylphosphanylethanimine is sourced from PubChem (CID 153383239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).