(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine

C22H27FN4 — CID 70777918

IUPAC(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
SMILESCN(C)[C@H]1CCCCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)C1
InChIInChI=1S/C22H27FN4/c1-25(2)19-7-3-5-13-26(15-19)16-20-22(17-9-11-18(23)12-10-17)24-21-8-4-6-14-27(20)21/h4,6,8-12,14,19H,3,5,7,13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyJNUBXSQAWZIVDK-IBGZPJMESA-N
MW366.48 g/mol
LogP4.06
Rot. Bonds4

About (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine

(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine (PubChem CID 70777918) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
PubChem CID70777918
Molecular FormulaC22H27FN4
Molecular Weight366.48 g/mol
Exact Mass366.22
IUPAC Name(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine
SMILESCN(C)[C@H]1CCCCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)C1
InChIInChI=1S/C22H27FN4/c1-25(2)19-7-3-5-13-26(15-19)16-20-22(17-9-11-18(23)12-10-17)24-21-8-4-6-14-27(20)21/h4,6,8-12,14,19H,3,5,7,13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyJNUBXSQAWZIVDK-IBGZPJMESA-N
XLogP4.06
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
3-[[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 70735350
3-[[4-(cyclopentylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 155082855
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbaldehyde;2-methoxy-2-methylpropane
CID 145325362
2-(4-chlorophenyl)-3-[(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 134203616
3-(3,6-diazabicyclo[3.1.1]heptan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine
CID 134203713
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 129225981
[3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]-cyclohexylmethanone
CID 134203833
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine?
The IUPAC name of (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine (CID 70777918) is (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine.
What is the SMILES notation for (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine?
The canonical SMILES for (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine is CN(C)[C@H]1CCCCN(Cc2c(-c3ccc(F)cc3)nc3ccccn23)C1.
What is the InChIKey of (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine?
The InChIKey is JNUBXSQAWZIVDK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27FN4/c1-25(2)19-7-3-5-13-26(15-19)16-20-22(17-9-11-18(23)12-10-17)24-21-8-4-6-14-27(20)21/h4,6,8-12,14,19H,3,5,7,13,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine?
(3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine has a molecular weight of 366.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylazepan-3-amine is sourced from PubChem (CID 70777918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).