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

C16H17N5O2S — CID 24864165

IUPAC5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
SMILESNc1ncc(-c2cc(C(=O)O)cs2)n2cc([C@H]3CCCNC3)nc12
InChIInChI=1S/C16H17N5O2S/c17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23)/t9-/m0/s1
InChIKeyPZARDFAAQKAOJN-VIFPVBQESA-N
MW343.41 g/mol
LogP2.21
Rot. Bonds3

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

5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid (PubChem CID 24864165) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
PubChem CID24864165
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid
SMILESNc1ncc(-c2cc(C(=O)O)cs2)n2cc([C@H]3CCCNC3)nc12
InChIInChI=1S/C16H17N5O2S/c17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23)/t9-/m0/s1
InChIKeyPZARDFAAQKAOJN-VIFPVBQESA-N
XLogP2.21
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid (CID 24864165) is 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid is Nc1ncc(-c2cc(C(=O)O)cs2)n2cc([C@H]3CCCNC3)nc12.
What is the InChIKey of 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid?
The InChIKey is PZARDFAAQKAOJN-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-14-15-20-11(9-2-1-3-18-5-9)7-21(15)12(6-19-14)13-4-10(8-24-13)16(22)23/h4,6-9,18H,1-3,5H2,(H2,17,19)(H,22,23)/t9-/m0/s1.
What are the key properties of 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid?
5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid has a molecular weight of 343.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-amino-2-[(3S)-piperidin-3-yl]imidazo[1,2-a]pyrazin-5-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 24864165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).