N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C22H23F2N5O2 — CID 118385981

IUPACN-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)CCC#N)n2c1
InChIInChI=1S/C22H23F2N5O2/c1-13-9-19(31-12-16-17(23)6-3-7-18(16)24)21-28-14(2)20(29(21)11-13)22(30)27-10-15(26)5-4-8-25/h3,6-7,9,11,15H,4-5,10,12,26H2,1-2H3,(H,27,30)
InChIKeyMZIMECBXDKBWCS-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.17
Rot. Bonds8

About N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118385981) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118385981
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC NameN-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)CCC#N)n2c1
InChIInChI=1S/C22H23F2N5O2/c1-13-9-19(31-12-16-17(23)6-3-7-18(16)24)21-28-14(2)20(29(21)11-13)22(30)27-10-15(26)5-4-8-25/h3,6-7,9,11,15H,4-5,10,12,26H2,1-2H3,(H,27,30)
InChIKeyMZIMECBXDKBWCS-UHFFFAOYSA-N
XLogP3.17
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminopropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114683
N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118403400
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutan-2-yl]carbamic acid
CID 90114298
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717950
N-(5-cyanopiperidin-3-yl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118386007
3-(chloromethyl)-5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-5-oxopentanenitrile
CID 159330121

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118385981) is N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NCC(N)CCC#N)n2c1.
What is the InChIKey of N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MZIMECBXDKBWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c1-13-9-19(31-12-16-17(23)6-3-7-18(16)24)21-28-14(2)20(29(21)11-13)22(30)27-10-15(26)5-4-8-25/h3,6-7,9,11,15H,4-5,10,12,26H2,1-2H3,(H,27,30).
What are the key properties of N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118385981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).