benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

C24H23FN6O2 — CID 76753434

IUPACbenzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29)
InChIKeyHLQMMMKLLNPNGD-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.95
Rot. Bonds5

About benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 76753434) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID76753434
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Namebenzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29)
InChIKeyHLQMMMKLLNPNGD-UHFFFAOYSA-N
XLogP3.95
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

Rimegepant
CID 51049968
[(6R,9R)-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 46174937
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
6-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44449000
4-[3-[6-(Ethoxymethyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380387
1-(2-Ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-phenylmethoxypyridin-2-one
CID 89690573

Frequently Asked Questions

What is the IUPAC name of benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 76753434) is benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)C(Nc2cncc(-c3cnc4ccccn34)n2)C1.
What is the InChIKey of benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is HLQMMMKLLNPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-18-9-11-30(24(32)33-16-17-6-2-1-3-7-17)15-20(18)29-22-14-26-12-19(28-22)21-13-27-23-8-4-5-10-31(21)23/h1-8,10,12-14,18,20H,9,11,15-16H2,(H,28,29).
What are the key properties of benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 446.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 76753434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).