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

C25H26N6O2S — CID 123253955

IUPAC4-[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
SMILESCNc1nc2cccc(-c3cc4c(-c5cnn(C6CCC(C)(O)CC6)c5)cnc(N)c4o3)c2s1
InChIInChI=1S/C25H26N6O2S/c1-25(32)8-6-15(7-9-25)31-13-14(11-29-31)18-12-28-23(26)21-17(18)10-20(33-21)16-4-3-5-19-22(16)34-24(27-2)30-19/h3-5,10-13,15,32H,6-9H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyPLOLAKDNZJJFCQ-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.46
Rot. Bonds4

About 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

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 (PubChem CID 123253955) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID123253955
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name4-[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
SMILESCNc1nc2cccc(-c3cc4c(-c5cnn(C6CCC(C)(O)CC6)c5)cnc(N)c4o3)c2s1
InChIInChI=1S/C25H26N6O2S/c1-25(32)8-6-15(7-9-25)31-13-14(11-29-31)18-12-28-23(26)21-17(18)10-20(33-21)16-4-3-5-19-22(16)34-24(27-2)30-19/h3-5,10-13,15,32H,6-9H2,1-2H3,(H2,26,28)(H,27,30)
InChIKeyPLOLAKDNZJJFCQ-UHFFFAOYSA-N
XLogP5.46
TPSA115.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 78225389
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
N-[3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]phenyl]methanesulfonamide
CID 53377633
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
1-[4-[4-[7-amino-2-(6-fluoro-1,2-benzothiazol-7-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760119
1-[4-[4-[7-amino-2-(1-methylpyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760160
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
2-(1H-indol-6-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377738
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-(1H-indol-5-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 53377856

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1nc2cccc(-c3cc4c(-c5cnn(C6CCC(C)(O)CC6)c5)cnc(N)c4o3)c2s1.
What is the InChIKey of 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?
The InChIKey is PLOLAKDNZJJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-25(32)8-6-15(7-9-25)31-13-14(11-29-31)18-12-28-23(26)21-17(18)10-20(33-21)16-4-3-5-19-22(16)34-24(27-2)30-19/h3-5,10-13,15,32H,6-9H2,1-2H3,(H2,26,28)(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 474.59 g/mol, XLogP of 5.46, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123253955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).