2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one

C20H19N5O — CID 162655927

IUPAC2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
SMILESO=c1c2ccc(Nc3n[nH]c4cccnc34)cc2ccn1CC1CCC1
InChIInChI=1S/C20H19N5O/c26-20-16-7-6-15(22-19-18-17(23-24-19)5-2-9-21-18)11-14(16)8-10-25(20)12-13-3-1-4-13/h2,5-11,13H,1,3-4,12H2,(H2,22,23,24)
InChIKeyFDTKFKAGUXSNQG-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.82
Rot. Bonds4

About 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one

2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one (PubChem CID 162655927) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
PubChem CID162655927
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
SMILESO=c1c2ccc(Nc3n[nH]c4cccnc34)cc2ccn1CC1CCC1
InChIInChI=1S/C20H19N5O/c26-20-16-7-6-15(22-19-18-17(23-24-19)5-2-9-21-18)11-14(16)8-10-25(20)12-13-3-1-4-13/h2,5-11,13H,1,3-4,12H2,(H2,22,23,24)
InChIKeyFDTKFKAGUXSNQG-UHFFFAOYSA-N
XLogP3.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The IUPAC name of 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one (CID 162655927) is 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The canonical SMILES for 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one is O=c1c2ccc(Nc3n[nH]c4cccnc34)cc2ccn1CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The InChIKey is FDTKFKAGUXSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20-16-7-6-15(22-19-18-17(23-24-19)5-2-9-21-18)11-14(16)8-10-25(20)12-13-3-1-4-13/h2,5-11,13H,1,3-4,12H2,(H2,22,23,24).
What are the key properties of 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one has a molecular weight of 345.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one is sourced from PubChem (CID 162655927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).