4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

C25H21N7O2S2 — CID 71814654

IUPAC4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESNc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12
InChIInChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28)
InChIKeyQWDMOLLUOYFWOV-UHFFFAOYSA-N
MW515.62 g/mol
LogP5.54
Rot. Bonds4

About 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol

4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 71814654) has the molecular formula C25H21N7O2S2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
PubChem CID71814654
Molecular FormulaC25H21N7O2S2
Molecular Weight515.62 g/mol
Exact Mass515.12
IUPAC Name4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
SMILESNc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12
InChIInChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28)
InChIKeyQWDMOLLUOYFWOV-UHFFFAOYSA-N
XLogP5.54
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(difluoromethyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 71814656
4-[4-[7-amino-2-(1,2-benzothiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 66760550
2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 78225389
7-[7-amino-4-[1-(4-hydroxycyclohexyl)pyrazol-4-yl]furo[2,3-c]pyridin-2-yl]-1,2-benzothiazole-6-carbonitrile;formic acid
CID 66760465
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
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
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
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
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
cis-(1S,3R)-3-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]cyclohexan-1-ol
CID 66760077
2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 66759891

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol (CID 71814654) is 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12.
What is the InChIKey of 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is QWDMOLLUOYFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2S2/c26-25-23-20(17(9-28-25)13-8-29-32(11-13)14-4-6-15(33)7-5-14)21(19-10-27-12-35-19)22(34-23)16-2-1-3-18-24(16)36-31-30-18/h1-3,8-12,14-15,33H,4-7H2,(H2,26,28).
What are the key properties of 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol?
4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 515.62 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-(1,3-thiazol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 71814654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).