7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine

C55H58FN9O3 — CID 158397759

IUPAC7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)cc3n2)cc1.COc1cccc(-c2cn3ccc(N4CCCC4)cc3n2)c1.COc1cccc(-c2cn3ccc(N4CCCCC4)cc3n2)c1
InChIInChI=1S/C19H21N3O.C18H18FN3O.C18H19N3O/c1-23-17-7-5-6-15(12-17)18-14-22-11-8-16(13-19(22)20-18)21-9-3-2-4-10-21;1-23-16-4-2-13(3-5-16)17-12-22-9-7-15(10-18(22)20-17)21-8-6-14(19)11-21;1-22-16-6-4-5-14(11-16)17-13-21-10-7-15(12-18(21)19-17)20-8-2-3-9-20/h5-8,11-14H,2-4,9-10H2,1H3;2-5,7,9-10,12,14H,6,8,11H2,1H3;4-7,10-13H,2-3,8-9H2,1H3/t;14-;/m.1./s1
InChIKeyGXSMDBRFRLIAIF-ACDBXBHQSA-N
MW912.13 g/mol
LogP11.17
Rot. Bonds9

About 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine

7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine (PubChem CID 158397759) has the molecular formula C55H58FN9O3 and a molecular weight of 912.13 g/mol. Its IUPAC name is 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine
PubChem CID158397759
Molecular FormulaC55H58FN9O3
Molecular Weight912.13 g/mol
Exact Mass911.46
IUPAC Name7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)cc3n2)cc1.COc1cccc(-c2cn3ccc(N4CCCC4)cc3n2)c1.COc1cccc(-c2cn3ccc(N4CCCCC4)cc3n2)c1
InChIInChI=1S/C19H21N3O.C18H18FN3O.C18H19N3O/c1-23-17-7-5-6-15(12-17)18-14-22-11-8-16(13-19(22)20-18)21-9-3-2-4-10-21;1-23-16-4-2-13(3-5-16)17-12-22-9-7-15(10-18(22)20-17)21-8-6-14(19)11-21;1-22-16-6-4-5-14(11-16)17-13-21-10-7-15(12-18(21)19-17)20-8-2-3-9-20/h5-8,11-14H,2-4,9-10H2,1H3;2-5,7,9-10,12,14H,6,8,11H2,1H3;4-7,10-13H,2-3,8-9H2,1H3/t;14-;/m.1./s1
InChIKeyGXSMDBRFRLIAIF-ACDBXBHQSA-N
XLogP11.17
TPSA89.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.13
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10139996
US11420968, Example F42
CID 156069920
6-Methyl-5-[2-methyl-4-[(4-piperidin-1-yl-2-pyridinyl)oxy]phenyl]imidazo[1,2-a]pyrazine
CID 146025719
2-[4-[4-[4-[2-(4-Methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
CID 162666163
6-[6-(4-Methylpiperazin-1-yl)-3-pyridyl]-3-(4-phenoxyphenyl) imidazo[1,2-a]pyrazine
CID 126672970
6-(2-methoxy-4-pyridyl)-4-[4-[4-methyl-5-[3-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413815
4-[5-[4-[4-[5-(3-fluoro-4-methoxy-phenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413822
4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413883
4-[4-[5-(3-methoxyphenyl)-4-(trifluoromethyl)-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413887
4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
US10703755, Example 297
CID 138676704

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine (CID 158397759) is 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine is COc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)cc3n2)cc1.COc1cccc(-c2cn3ccc(N4CCCC4)cc3n2)c1.COc1cccc(-c2cn3ccc(N4CCCCC4)cc3n2)c1.
What is the InChIKey of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
The InChIKey is GXSMDBRFRLIAIF-ACDBXBHQSA-N. The full InChI is InChI=1S/C19H21N3O.C18H18FN3O.C18H19N3O/c1-23-17-7-5-6-15(12-17)18-14-22-11-8-16(13-19(22)20-18)21-9-3-2-4-10-21;1-23-16-4-2-13(3-5-16)17-12-22-9-7-15(10-18(22)20-17)21-8-6-14(19)11-21;1-22-16-6-4-5-14(11-16)17-13-21-10-7-15(12-18(21)19-17)20-8-2-3-9-20/h5-8,11-14H,2-4,9-10H2,1H3;2-5,7,9-10,12,14H,6,8,11H2,1H3;4-7,10-13H,2-3,8-9H2,1H3/t;14-;/m.1./s1.
What are the key properties of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine?
7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine has a molecular weight of 912.13 g/mol, XLogP of 11.17, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-piperidin-1-ylimidazo[1,2-a]pyridine;2-(3-methoxyphenyl)-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 158397759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).