ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate

C18H21N5O2S — CID 24865061

IUPACethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate
SMILESCCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1
InChIInChI=1S/C18H21N5O2S/c1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11/h6,8-11,20H,2-5,7H2,1H3,(H2,19,21)/t11-/m0/s1
InChIKeyHFAITZMIACSEHD-NSHDSACASA-N
MW371.47 g/mol
LogP2.68
Rot. Bonds4

About ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate

ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate (PubChem CID 24865061) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate
PubChem CID24865061
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Nameethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate
SMILESCCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1
InChIInChI=1S/C18H21N5O2S/c1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11/h6,8-11,20H,2-5,7H2,1H3,(H2,19,21)/t11-/m0/s1
InChIKeyHFAITZMIACSEHD-NSHDSACASA-N
XLogP2.68
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate (CID 24865061) is ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate is CCOC(=O)c1csc(-c2cnc(N)c3nc([C@H]4CCCNC4)cn23)c1.
What is the InChIKey of ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate?
The InChIKey is HFAITZMIACSEHD-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-2-25-18(24)12-6-15(26-10-12)14-8-21-16(19)17-22-13(9-23(14)17)11-4-3-5-20-7-11/h6,8-11,20H,2-5,7H2,1H3,(H2,19,21)/t11-/m0/s1.
What are the key properties of ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate?
ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate has a molecular weight of 371.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylate is sourced from PubChem (CID 24865061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).