6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol

C21H21N5O — CID 168977895

IUPAC6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol
SMILESCn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3O)ncc2n1
InChIInChI=1S/C21H21N5O/c1-26-12-14-10-19(23-11-20(14)25-26)16-3-5-18-15(21(16)27)2-4-17(24-18)13-6-8-22-9-7-13/h2-5,10-13,22,27H,6-9H2,1H3
InChIKeyPOUXNVGLPJXZGY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.36
Rot. Bonds2

About 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol

6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol (PubChem CID 168977895) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol.

Molecular Properties

Compound Name6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol
PubChem CID168977895
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol
SMILESCn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3O)ncc2n1
InChIInChI=1S/C21H21N5O/c1-26-12-14-10-19(23-11-20(14)25-26)16-3-5-18-15(21(16)27)2-4-17(24-18)13-6-8-22-9-7-13/h2-5,10-13,22,27H,6-9H2,1H3
InChIKeyPOUXNVGLPJXZGY-UHFFFAOYSA-N
XLogP3.36
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol?
The IUPAC name of 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol (CID 168977895) is 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol.
What is the SMILES notation for 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol?
The canonical SMILES for 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol is Cn1cc2cc(-c3ccc4nc(C5CCNCC5)ccc4c3O)ncc2n1.
What is the InChIKey of 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol?
The InChIKey is POUXNVGLPJXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-26-12-14-10-19(23-11-20(14)25-26)16-3-5-18-15(21(16)27)2-4-17(24-18)13-6-8-22-9-7-13/h2-5,10-13,22,27H,6-9H2,1H3.
What are the key properties of 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol?
6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol has a molecular weight of 359.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-2-piperidin-4-ylquinolin-5-ol is sourced from PubChem (CID 168977895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).