6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide

C19H19FN4O3 — CID 95881070

IUPAC6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC[C@@H]3CCOC3)nc2c1=O
InChIInChI=1S/C19H19FN4O3/c1-23-16(13-2-4-14(20)5-3-13)10-24-9-15(22-17(24)19(23)26)18(25)21-8-12-6-7-27-11-12/h2-5,9-10,12H,6-8,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyIGKXCRIYTDKFIM-LBPRGKRZSA-N
MW370.38 g/mol
LogP1.61
Rot. Bonds4

About 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide

6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95881070) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID95881070
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC[C@@H]3CCOC3)nc2c1=O
InChIInChI=1S/C19H19FN4O3/c1-23-16(13-2-4-14(20)5-3-13)10-24-9-15(22-17(24)19(23)26)18(25)21-8-12-6-7-27-11-12/h2-5,9-10,12H,6-8,11H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyIGKXCRIYTDKFIM-LBPRGKRZSA-N
XLogP1.61
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide (CID 95881070) is 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide is Cn1c(-c2ccc(F)cc2)cn2cc(C(=O)NC[C@@H]3CCOC3)nc2c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IGKXCRIYTDKFIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-23-16(13-2-4-14(20)5-3-13)10-24-9-15(22-17(24)19(23)26)18(25)21-8-12-6-7-27-11-12/h2-5,9-10,12H,6-8,11H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide?
6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-7-methyl-8-oxo-N-[[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95881070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).