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

C25H23N5OS — CID 158170352

IUPAC4-[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
SMILESNc1ncc(-c2cnn(C3C[C@H]4CC[C@@H](C3)C4)c2)c2cc(-c3csc4cnccc34)oc12
InChIInChI=1S/C25H23N5OS/c26-25-24-19(8-22(31-24)21-13-32-23-11-27-4-3-18(21)23)20(10-28-25)16-9-29-30(12-16)17-6-14-1-2-15(5-14)7-17/h3-4,8-15,17H,1-2,5-7H2,(H2,26,28)/t14-,15+,17?
InChIKeyFXJIFSFQJZETIB-FKEKPDDDSA-N
MW441.56 g/mol
LogP6.30
Rot. Bonds3

About 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

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 (PubChem CID 158170352) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158170352
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name4-[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
SMILESNc1ncc(-c2cnn(C3C[C@H]4CC[C@@H](C3)C4)c2)c2cc(-c3csc4cnccc34)oc12
InChIInChI=1S/C25H23N5OS/c26-25-24-19(8-22(31-24)21-13-32-23-11-27-4-3-18(21)23)20(10-28-25)16-9-29-30(12-16)17-6-14-1-2-15(5-14)7-17/h3-4,8-15,17H,1-2,5-7H2,(H2,26,28)/t14-,15+,17?
InChIKeyFXJIFSFQJZETIB-FKEKPDDDSA-N
XLogP6.30
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 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
4-[4-[7-(methylamino)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 66759896
4-[4-(7-amino-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl)-3-methylpyrazol-1-yl]cyclohexane-1-carbaldehyde
CID 88915074
1-[4-[4-(7-amino-2-thieno[2,3-d]pyridazin-3-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;formic acid
CID 86662420
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-(dimethylamino)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 66759843
4-(2-methyl-1,3-thiazol-5-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66760713
1-[4-[4-[7-(ethylamino)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 66760255
3-[7-amino-4-(1-piperidin-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-2-yl]-6H-thieno[2,3-c]pyridin-5-one;bis(2,2,2-trifluoroacetic acid)
CID 86662418
4-(1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)furo[2,3-c]pyridin-7-amine
CID 53377739
2-(6-amino-3-pyridinyl)-4-(1-cyclohexylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 149486732
2-(1-benzothiophen-7-yl)-4-(1-piperidin-1-ium-4-ylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 78225389

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1ncc(-c2cnn(C3C[C@H]4CC[C@@H](C3)C4)c2)c2cc(-c3csc4cnccc34)oc12.
What is the InChIKey of 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?
The InChIKey is FXJIFSFQJZETIB-FKEKPDDDSA-N. The full InChI is InChI=1S/C25H23N5OS/c26-25-24-19(8-22(31-24)21-13-32-23-11-27-4-3-18(21)23)20(10-28-25)16-9-29-30(12-16)17-6-14-1-2-15(5-14)7-17/h3-4,8-15,17H,1-2,5-7H2,(H2,26,28)/t14-,15+,17?.
What are the key properties of 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?
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 has a molecular weight of 441.56 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158170352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).