3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid

C15H14N6O2S2 — CID 71196606

IUPAC3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1S(=O)O
InChIInChI=1S/C15H14N6O2S2/c1-9-5-12(24-15(9)25(22)23)19-13-14-17-7-11(21(14)4-3-16-13)10-6-18-20(2)8-10/h3-8H,1-2H3,(H,16,19)(H,22,23)
InChIKeyQGHQODCUKQEYEF-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.82
Rot. Bonds4

About 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid

3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid (PubChem CID 71196606) has the molecular formula C15H14N6O2S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid.

Molecular Properties

Compound Name3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
PubChem CID71196606
Molecular FormulaC15H14N6O2S2
Molecular Weight374.45 g/mol
Exact Mass374.06
IUPAC Name3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid
SMILESCc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1S(=O)O
InChIInChI=1S/C15H14N6O2S2/c1-9-5-12(24-15(9)25(22)23)19-13-14-17-7-11(21(14)4-3-16-13)10-6-18-20(2)8-10/h3-8H,1-2H3,(H,16,19)(H,22,23)
InChIKeyQGHQODCUKQEYEF-UHFFFAOYSA-N
XLogP2.82
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid?
The IUPAC name of 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid (CID 71196606) is 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid.
What is the SMILES notation for 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid?
The canonical SMILES for 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid is Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sc1S(=O)O.
What is the InChIKey of 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid?
The InChIKey is QGHQODCUKQEYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S2/c1-9-5-12(24-15(9)25(22)23)19-13-14-17-7-11(21(14)4-3-16-13)10-6-18-20(2)8-10/h3-8H,1-2H3,(H,16,19)(H,22,23).
What are the key properties of 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid?
3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid has a molecular weight of 374.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophene-2-sulfinic acid is sourced from PubChem (CID 71196606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).