2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

C23H22N5OS+ — CID 78225389

IUPAC2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)c2cc(-c3cccc4ccsc34)oc12
InChIInChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)/p+1
InChIKeyHYMAZAOGZLVDSM-UHFFFAOYSA-O
MW416.53 g/mol
LogP4.05
Rot. Bonds3

About 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine

2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (PubChem CID 78225389) has the molecular formula C23H22N5OS+ and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
PubChem CID78225389
Molecular FormulaC23H22N5OS+
Molecular Weight416.53 g/mol
Exact Mass416.15
IUPAC Name2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
SMILESNc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)c2cc(-c3cccc4ccsc34)oc12
InChIInChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)/p+1
InChIKeyHYMAZAOGZLVDSM-UHFFFAOYSA-O
XLogP4.05
TPSA86.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[7-amino-2-[2-(methylamino)-1,3-benzothiazol-7-yl]furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]-1-methylcyclohexan-1-ol
CID 123253955
2-(1,2-benzothiazol-7-yl)-4-[1-(2-methyl-2-azatricyclo[5.2.0.01,3]nonan-5-yl)pyrazol-4-yl]furo[2,3-c]pyridin-7-amine
CID 123304911
1-[4-[4-[7-amino-2-(1-benzofuran-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66759993
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
3-[4-[7-amino-2-(2,3-dihydro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 123359841
4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
4-[1-[(1S,5R)-3-bicyclo[3.2.1]octanyl]pyrazol-4-yl]-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 158170352
4-[4-[2-(1,2-benzothiazol-7-yl)-7-(methylamino)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 66760886
2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
2-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856
1-[4-[4-[7-amino-2-([1,2]thiazolo[4,5-c]pyridin-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid
CID 161009217
N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
CID 53377633

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The IUPAC name of 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine (CID 78225389) is 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is Nc1ncc(-c2cnn(C3CC[NH2+]CC3)c2)c2cc(-c3cccc4ccsc34)oc12.
What is the InChIKey of 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
The InChIKey is HYMAZAOGZLVDSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N5OS/c24-23-21-18(10-20(29-21)17-3-1-2-14-6-9-30-22(14)17)19(12-26-23)15-11-27-28(13-15)16-4-7-25-8-5-16/h1-3,6,9-13,16,25H,4-5,7-8H2,(H2,24,26)/p+1.
What are the key properties of 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine?
2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine has a molecular weight of 416.53 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 78225389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).