7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

C22H20F4N4O — CID 66843851

IUPAC7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2C#N)CC1
InChIInChI=1S/C22H20F4N4O/c1-31-20-16(3-2-4-18(20)23)14-5-8-29(9-6-14)19-7-10-30-15(11-22(24,25)26)13-28-21(30)17(19)12-27/h2-4,7,10,13-14H,5-6,8-9,11H2,1H3
InChIKeyLOJIQYUJTKGFHE-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.84
Rot. Bonds4

About 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile

7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 66843851) has the molecular formula C22H20F4N4O and a molecular weight of 432.42 g/mol. Its IUPAC name is 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID66843851
Molecular FormulaC22H20F4N4O
Molecular Weight432.42 g/mol
Exact Mass432.16
IUPAC Name7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2C#N)CC1
InChIInChI=1S/C22H20F4N4O/c1-31-20-16(3-2-4-18(20)23)14-5-8-29(9-6-14)19-7-10-30-15(11-22(24,25)26)13-28-21(30)17(19)12-27/h2-4,7,10,13-14H,5-6,8-9,11H2,1H3
InChIKeyLOJIQYUJTKGFHE-UHFFFAOYSA-N
XLogP4.84
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 71482513
8-chloro-3-(cyclopropylmethyl)-7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 69093439
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
CID 58103915
3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57470404
8-chloro-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459499
7-(4-fluoro-4-phenylpiperidin-1-yl)-8-methyl-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine
CID 130238953
7-[4-(3,6-difluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 72703394
7-[4-[(4-hydroxycyclohexyl)amino]phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 66843678
4-[3-fluoro-2-(2-fluoroethoxy)phenyl]-1-methylpiperidine
CID 58103909
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048
8-chloro-3-(cyclopropylmethyl)-7-[4-(3,4-difluoro-2-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 69093106
3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57459476

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 66843851) is 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is COc1c(F)cccc1C1CCN(c2ccn3c(CC(F)(F)F)cnc3c2C#N)CC1.
What is the InChIKey of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is LOJIQYUJTKGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O/c1-31-20-16(3-2-4-18(20)23)14-5-8-29(9-6-14)19-7-10-30-15(11-22(24,25)26)13-28-21(30)17(19)12-27/h2-4,7,10,13-14H,5-6,8-9,11H2,1H3.
What are the key properties of 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile?
7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 432.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-fluoro-2-methoxyphenyl)piperidin-1-yl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 66843851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).