N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C23H26F2N4O2 — CID 118403400

IUPACN-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C=C/CC(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12
InChIInChI=1S/C23H26F2N4O2/c1-4-5-7-16(26)11-27-23(30)21-15(3)28-22-20(10-14(2)12-29(21)22)31-13-17-18(24)8-6-9-19(17)25/h4-6,8-10,12,16H,7,11,13,26H2,1-3H3,(H,27,30)/b5-4+
InChIKeyPNTQVXQNLLEYGR-SNAWJCMRSA-N
MW428.48 g/mol
LogP3.83
Rot. Bonds8

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

N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118403400) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118403400
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC NameN-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C=C/CC(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12
InChIInChI=1S/C23H26F2N4O2/c1-4-5-7-16(26)11-27-23(30)21-15(3)28-22-20(10-14(2)12-29(21)22)31-13-17-18(24)8-6-9-19(17)25/h4-6,8-10,12,16H,7,11,13,26H2,1-3H3,(H,27,30)/b5-4+
InChIKeyPNTQVXQNLLEYGR-SNAWJCMRSA-N
XLogP3.83
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(2-amino-4-cyanobutyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 118385981
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
[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-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
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
[1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]-2-methylbutan-2-yl]carbamic acid
CID 90114214
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 135352460
N-[2-amino-1-(3,4-difluorophenyl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 86717950
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 86724683

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118403400) is N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is C/C=C/CC(N)CNC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.
What is the InChIKey of N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PNTQVXQNLLEYGR-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-4-5-7-16(26)11-27-23(30)21-15(3)28-22-20(10-14(2)12-29(21)22)31-13-17-18(24)8-6-9-19(17)25/h4-6,8-10,12,16H,7,11,13,26H2,1-3H3,(H,27,30)/b5-4+.
What are the key properties of N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-aminohex-4-enyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118403400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).