5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol

C20H18N4OS — CID 172542222

IUPAC5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
SMILESCn1cc2cc(-c3ccc4cc(C5(O)CC6(CC6)C5)sc4n3)cnc2n1
InChIInChI=1S/C20H18N4OS/c1-24-9-14-6-13(8-21-17(14)23-24)15-3-2-12-7-16(26-18(12)22-15)20(25)10-19(11-20)4-5-19/h2-3,6-9,25H,4-5,10-11H2,1H3
InChIKeyFBBRDCUOUFSDFV-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.01
Rot. Bonds2

About 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol

5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol (PubChem CID 172542222) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol.

Molecular Properties

Compound Name5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
PubChem CID172542222
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
SMILESCn1cc2cc(-c3ccc4cc(C5(O)CC6(CC6)C5)sc4n3)cnc2n1
InChIInChI=1S/C20H18N4OS/c1-24-9-14-6-13(8-21-17(14)23-24)15-3-2-12-7-16(26-18(12)22-15)20(25)10-19(11-20)4-5-19/h2-3,6-9,25H,4-5,10-11H2,1H3
InChIKeyFBBRDCUOUFSDFV-UHFFFAOYSA-N
XLogP4.01
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The IUPAC name of 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol (CID 172542222) is 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol.
What is the SMILES notation for 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The canonical SMILES for 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol is Cn1cc2cc(-c3ccc4cc(C5(O)CC6(CC6)C5)sc4n3)cnc2n1.
What is the InChIKey of 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
The InChIKey is FBBRDCUOUFSDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-24-9-14-6-13(8-21-17(14)23-24)15-3-2-12-7-16(26-18(12)22-15)20(25)10-19(11-20)4-5-19/h2-3,6-9,25H,4-5,10-11H2,1H3.
What are the key properties of 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol?
5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol has a molecular weight of 362.46 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol is sourced from PubChem (CID 172542222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).