3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine

C18H17N7O2S — CID 123917443

IUPAC3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine
SMILESCC=C(/C=N/C)c1cnc2cnn(S(=O)(=O)c3cnc4ccc(N)cn34)c2c1
InChIInChI=1S/C18H17N7O2S/c1-3-12(7-20-2)13-6-16-15(21-8-13)9-23-25(16)28(26,27)18-10-22-17-5-4-14(19)11-24(17)18/h3-11H,19H2,1-2H3/b12-3?,20-7+
InChIKeyJHPYMMGCZJDJGL-YIGFIDTISA-N
MW395.45 g/mol
LogP2.00
Rot. Bonds4

About 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine

3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine (PubChem CID 123917443) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine
PubChem CID123917443
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine
SMILESCC=C(/C=N/C)c1cnc2cnn(S(=O)(=O)c3cnc4ccc(N)cn34)c2c1
InChIInChI=1S/C18H17N7O2S/c1-3-12(7-20-2)13-6-16-15(21-8-13)9-23-25(16)28(26,27)18-10-22-17-5-4-14(19)11-24(17)18/h3-11H,19H2,1-2H3/b12-3?,20-7+
InChIKeyJHPYMMGCZJDJGL-YIGFIDTISA-N
XLogP2.00
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine (CID 123917443) is 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine is CC=C(/C=N/C)c1cnc2cnn(S(=O)(=O)c3cnc4ccc(N)cn34)c2c1.
What is the InChIKey of 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is JHPYMMGCZJDJGL-YIGFIDTISA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-3-12(7-20-2)13-6-16-15(21-8-13)9-23-25(16)28(26,27)18-10-22-17-5-4-14(19)11-24(17)18/h3-11H,19H2,1-2H3/b12-3?,20-7+.
What are the key properties of 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine?
3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 395.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methyliminobut-2-en-2-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 123917443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).