1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine

C19H21N7O — CID 160996932

IUPAC1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
SMILESCOC1CN(CCn2ncc3c(N)nc4cc(-c5ccn[nH]5)ccc4c32)C1
InChIInChI=1S/C19H21N7O/c1-27-13-10-25(11-13)6-7-26-18-14-3-2-12(16-4-5-21-24-16)8-17(14)23-19(20)15(18)9-22-26/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyTVJJEKGMBNGHDL-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine

1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 160996932) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
PubChem CID160996932
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine
SMILESCOC1CN(CCn2ncc3c(N)nc4cc(-c5ccn[nH]5)ccc4c32)C1
InChIInChI=1S/C19H21N7O/c1-27-13-10-25(11-13)6-7-26-18-14-3-2-12(16-4-5-21-24-16)8-17(14)23-19(20)15(18)9-22-26/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,20,23)(H,21,24)
InChIKeyTVJJEKGMBNGHDL-UHFFFAOYSA-N
XLogP1.89
TPSA97.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine (CID 160996932) is 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine is COC1CN(CCn2ncc3c(N)nc4cc(-c5ccn[nH]5)ccc4c32)C1.
What is the InChIKey of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?
The InChIKey is TVJJEKGMBNGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-27-13-10-25(11-13)6-7-26-18-14-3-2-12(16-4-5-21-24-16)8-17(14)23-19(20)15(18)9-22-26/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine?
1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine has a molecular weight of 363.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyazetidin-1-yl)ethyl]-7-(1H-pyrazol-5-yl)pyrazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 160996932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).