2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol

C18H17N5O — CID 134191624

IUPAC2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol
SMILESCC(C)(O)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H17N5O/c1-18(2,24)15-13-6-5-12(10-11(13)7-9-19-15)21-17-14-4-3-8-20-16(14)22-23-17/h3-10,24H,1-2H3,(H2,20,21,22,23)
InChIKeyIJLKBBUATXPNOT-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.48
Rot. Bonds3

About 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol

2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol (PubChem CID 134191624) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol
PubChem CID134191624
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol
SMILESCC(C)(O)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12
InChIInChI=1S/C18H17N5O/c1-18(2,24)15-13-6-5-12(10-11(13)7-9-19-15)21-17-14-4-3-8-20-16(14)22-23-17/h3-10,24H,1-2H3,(H2,20,21,22,23)
InChIKeyIJLKBBUATXPNOT-UHFFFAOYSA-N
XLogP3.48
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol?
The IUPAC name of 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol (CID 134191624) is 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol.
What is the SMILES notation for 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol?
The canonical SMILES for 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol is CC(C)(O)c1nccc2cc(Nc3[nH]nc4ncccc34)ccc12.
What is the InChIKey of 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol?
The InChIKey is IJLKBBUATXPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-18(2,24)15-13-6-5-12(10-11(13)7-9-19-15)21-17-14-4-3-8-20-16(14)22-23-17/h3-10,24H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol?
2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol has a molecular weight of 319.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)isoquinolin-1-yl]propan-2-ol is sourced from PubChem (CID 134191624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).