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

C23H23N5O2S — CID 123359841

IUPAC3-[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
SMILESNc1ncc(-c2cnn(C3CCCC(O)C3)c2)c2cc(-c3cccc4c3SNC4)oc12
InChIInChI=1S/C23H23N5O2S/c24-23-21-18(8-20(30-21)17-6-1-3-13-10-27-31-22(13)17)19(11-25-23)14-9-26-28(12-14)15-4-2-5-16(29)7-15/h1,3,6,8-9,11-12,15-16,27,29H,2,4-5,7,10H2,(H2,24,25)
InChIKeyOONFRYLZRPDXTD-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.53
Rot. Bonds3

About 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

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 (PubChem CID 123359841) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID123359841
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name3-[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
SMILESNc1ncc(-c2cnn(C3CCCC(O)C3)c2)c2cc(-c3cccc4c3SNC4)oc12
InChIInChI=1S/C23H23N5O2S/c24-23-21-18(8-20(30-21)17-6-1-3-13-10-27-31-22(13)17)19(11-25-23)14-9-26-28(12-14)15-4-2-5-16(29)7-15/h1,3,6,8-9,11-12,15-16,27,29H,2,4-5,7,10H2,(H2,24,25)
InChIKeyOONFRYLZRPDXTD-UHFFFAOYSA-N
XLogP4.53
TPSA102.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 78225389
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
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
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-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856
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
4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
1-[4-[4-[7-amino-2-(1H-indol-5-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760699
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1ncc(-c2cnn(C3CCCC(O)C3)c2)c2cc(-c3cccc4c3SNC4)oc12.
What is the InChIKey of 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?
The InChIKey is OONFRYLZRPDXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c24-23-21-18(8-20(30-21)17-6-1-3-13-10-27-31-22(13)17)19(11-25-23)14-9-26-28(12-14)15-4-2-5-16(29)7-15/h1,3,6,8-9,11-12,15-16,27,29H,2,4-5,7,10H2,(H2,24,25).
What are the key properties of 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?
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 has a molecular weight of 433.54 g/mol, XLogP of 4.53, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123359841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).