5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide

C18H23N5OS — CID 71148365

IUPAC5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide
SMILESCCCC[C@@H](CC)c1cn2c(-c3cc(C(N)=O)cs3)cnc(N)c2n1
InChIInChI=1S/C18H23N5OS/c1-3-5-6-11(4-2)13-9-23-14(8-21-16(19)18(23)22-13)15-7-12(10-25-15)17(20)24/h7-11H,3-6H2,1-2H3,(H2,19,21)(H2,20,24)/t11-/m1/s1
InChIKeyBOAOFEOFFAKALD-LLVKDONJSA-N
MW357.48 g/mol
LogP3.82
Rot. Bonds7

About 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide

5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide (PubChem CID 71148365) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide
PubChem CID71148365
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide
SMILESCCCC[C@@H](CC)c1cn2c(-c3cc(C(N)=O)cs3)cnc(N)c2n1
InChIInChI=1S/C18H23N5OS/c1-3-5-6-11(4-2)13-9-23-14(8-21-16(19)18(23)22-13)15-7-12(10-25-15)17(20)24/h7-11H,3-6H2,1-2H3,(H2,19,21)(H2,20,24)/t11-/m1/s1
InChIKeyBOAOFEOFFAKALD-LLVKDONJSA-N
XLogP3.82
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide?
The IUPAC name of 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide (CID 71148365) is 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide is CCCC[C@@H](CC)c1cn2c(-c3cc(C(N)=O)cs3)cnc(N)c2n1.
What is the InChIKey of 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide?
The InChIKey is BOAOFEOFFAKALD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-3-5-6-11(4-2)13-9-23-14(8-21-16(19)18(23)22-13)15-7-12(10-25-15)17(20)24/h7-11H,3-6H2,1-2H3,(H2,19,21)(H2,20,24)/t11-/m1/s1.
What are the key properties of 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide?
5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-2-[(3R)-heptan-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxamide is sourced from PubChem (CID 71148365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).