benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate

C22H19FN4O2 — CID 76792724

IUPACbenzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28)
InChIKeyFCIYZAPKHDLBRQ-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.52
Rot. Bonds5

About benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate

benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate (PubChem CID 76792724) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
PubChem CID76792724
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Namebenzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28)
InChIKeyFCIYZAPKHDLBRQ-UHFFFAOYSA-N
XLogP4.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}carbamic acid methyl ester
CID 44444872
1-[2-(4-fluorophenyl)-3-(2-phenylmethoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 44419899
benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
N-[(1S)-2-ethoxy-1-phenylethyl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidine-1-carboxamide
CID 10717081
1-(3-(8-(Pyridin-4-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11677791
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
2-(2-Fluoro-phenyl)-4-oxo-5,6,7,9-tetrahydro-4H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalene-8-carboxylic acid benzyl ester
CID 15680235
ethyl 4-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]piperazine-1-carboxylate
CID 44431998
4-[3-[6-(Ethoxymethyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380387
1-(2-Cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 89690379

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate (CID 76792724) is benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1.
What is the InChIKey of benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The InChIKey is FCIYZAPKHDLBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28).
What are the key properties of benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate has a molecular weight of 390.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 76792724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).