3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol

C22H22N6O — CID 68788435

IUPAC3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2ccc(O)cc2cn1
InChIInChI=1S/C22H22N6O/c23-22-18(20-9-14-1-2-17(29)7-15(14)10-25-20)8-16(11-26-22)19-12-27-28-21(19)13-3-5-24-6-4-13/h1-2,7-13,24,29H,3-6H2,(H2,23,26)(H,27,28)
InChIKeyQAHAFTWUXJEXQL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.44
Rot. Bonds3

About 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol

3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol (PubChem CID 68788435) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol.

Molecular Properties

Compound Name3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol
PubChem CID68788435
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol
SMILESNc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2ccc(O)cc2cn1
InChIInChI=1S/C22H22N6O/c23-22-18(20-9-14-1-2-17(29)7-15(14)10-25-20)8-16(11-26-22)19-12-27-28-21(19)13-3-5-24-6-4-13/h1-2,7-13,24,29H,3-6H2,(H2,23,26)(H,27,28)
InChIKeyQAHAFTWUXJEXQL-UHFFFAOYSA-N
XLogP3.44
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol?
The IUPAC name of 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol (CID 68788435) is 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol.
What is the SMILES notation for 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol?
The canonical SMILES for 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol is Nc1ncc(-c2cn[nH]c2C2CCNCC2)cc1-c1cc2ccc(O)cc2cn1.
What is the InChIKey of 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol?
The InChIKey is QAHAFTWUXJEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-22-18(20-9-14-1-2-17(29)7-15(14)10-25-20)8-16(11-26-22)19-12-27-28-21(19)13-3-5-24-6-4-13/h1-2,7-13,24,29H,3-6H2,(H2,23,26)(H,27,28).
What are the key properties of 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol?
3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol has a molecular weight of 386.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol is sourced from PubChem (CID 68788435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).