2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C17H15N7S — CID 167778434

IUPAC2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1nn(C)c2nc(N3CCc4c(sc(N)c4C#N)C3)c(C#N)cc12
InChIInChI=1S/C17H15N7S/c1-9-12-5-10(6-18)16(21-17(12)23(2)22-9)24-4-3-11-13(7-19)15(20)25-14(11)8-24/h5H,3-4,8,20H2,1-2H3
InChIKeyUYTRAVZXSKVRLL-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.23
Rot. Bonds1

About 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 167778434) has the molecular formula C17H15N7S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID167778434
Molecular FormulaC17H15N7S
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1nn(C)c2nc(N3CCc4c(sc(N)c4C#N)C3)c(C#N)cc12
InChIInChI=1S/C17H15N7S/c1-9-12-5-10(6-18)16(21-17(12)23(2)22-9)24-4-3-11-13(7-19)15(20)25-14(11)8-24/h5H,3-4,8,20H2,1-2H3
InChIKeyUYTRAVZXSKVRLL-UHFFFAOYSA-N
XLogP2.23
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 167778434) is 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is Cc1nn(C)c2nc(N3CCc4c(sc(N)c4C#N)C3)c(C#N)cc12.
What is the InChIKey of 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is UYTRAVZXSKVRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7S/c1-9-12-5-10(6-18)16(21-17(12)23(2)22-9)24-4-3-11-13(7-19)15(20)25-14(11)8-24/h5H,3-4,8,20H2,1-2H3.
What are the key properties of 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 349.42 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 167778434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).