N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

C21H24N4O3 — CID 70712054

IUPACN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(-c2cn3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4C5)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C21H24N4O3/c1-11-6-15(12(2)28-11)18-10-25-9-17(22-19(25)21(27)24(18)3)20(26)23-16-8-13-4-5-14(16)7-13/h6,9-10,13-14,16H,4-5,7-8H2,1-3H3,(H,23,26)/t13-,14+,16-/m1/s1
InChIKeyBWPHIGFFQZQVFZ-IJEWVQPXSA-N
MW380.45 g/mol
LogP2.83
Rot. Bonds3

About N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide

N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 70712054) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID70712054
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
SMILESCc1cc(-c2cn3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4C5)nc3c(=O)n2C)c(C)o1
InChIInChI=1S/C21H24N4O3/c1-11-6-15(12(2)28-11)18-10-25-9-17(22-19(25)21(27)24(18)3)20(26)23-16-8-13-4-5-14(16)7-13/h6,9-10,13-14,16H,4-5,7-8H2,1-3H3,(H,23,26)/t13-,14+,16-/m1/s1
InChIKeyBWPHIGFFQZQVFZ-IJEWVQPXSA-N
XLogP2.83
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-7-methyl-N-[(3R)-oxan-3-yl]-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 95897928
6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxo-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 70713720
6-(2,5-dimethylfuran-3-yl)-N-[(2R)-2-methoxybutyl]-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 95873874
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(2,5-dimethylfuran-3-yl)-7-methylimidazo[1,2-a]pyrazin-8-one
CID 95895991
7-(cyclopropylmethyl)-6-(2,5-dimethylfuran-3-yl)-N,N-dimethyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70756247
6-(2-chlorophenyl)-7-methyl-8-oxo-N-pentan-3-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 70782699
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CID 42879131
6-(2-chlorophenyl)-7-methyl-N-(2-methylbutyl)-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide
CID 70729541
N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166211140
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81232589
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide (CID 70712054) is N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is Cc1cc(-c2cn3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4C5)nc3c(=O)n2C)c(C)o1.
What is the InChIKey of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BWPHIGFFQZQVFZ-IJEWVQPXSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-11-6-15(12(2)28-11)18-10-25-9-17(22-19(25)21(27)24(18)3)20(26)23-16-8-13-4-5-14(16)7-13/h6,9-10,13-14,16H,4-5,7-8H2,1-3H3,(H,23,26)/t13-,14+,16-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide?
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-6-(2,5-dimethylfuran-3-yl)-7-methyl-8-oxoimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 70712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).