1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol

C19H16FN5O2 — CID 142464334

IUPAC1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
SMILESCOc1cc2c(-c3cnn4cc(N5CC(O)C5)cnc34)ccnc2cc1F
InChIInChI=1S/C19H16FN5O2/c1-27-18-4-14-13(2-3-21-17(14)5-16(18)20)15-7-23-25-8-11(6-22-19(15)25)24-9-12(26)10-24/h2-8,12,26H,9-10H2,1H3
InChIKeySUZAGBVJJYCZMK-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.27
Rot. Bonds3

About 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol

1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol (PubChem CID 142464334) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
PubChem CID142464334
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
SMILESCOc1cc2c(-c3cnn4cc(N5CC(O)C5)cnc34)ccnc2cc1F
InChIInChI=1S/C19H16FN5O2/c1-27-18-4-14-13(2-3-21-17(14)5-16(18)20)15-7-23-25-8-11(6-22-19(15)25)24-9-12(26)10-24/h2-8,12,26H,9-10H2,1H3
InChIKeySUZAGBVJJYCZMK-UHFFFAOYSA-N
XLogP2.27
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 146663932
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylpiperidin-4-amine
CID 142464391
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-6-methyl-5-methylideneazocan-4-ol
CID 142464258
4-[6-[4-(2-azidopropan-2-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 167058477
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 170442659
ethane;7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 142464168
7-fluoro-6-methoxy-4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline;1-(propylamino)butan-2-one
CID 157036696
6-chloro-7-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464144
2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
CID 159460269
7-fluoro-6-methoxy-4-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrrolo[1,2-a]pyrimidin-8-yl]quinoline
CID 166691444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol?
The IUPAC name of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol (CID 142464334) is 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol is COc1cc2c(-c3cnn4cc(N5CC(O)C5)cnc34)ccnc2cc1F.
What is the InChIKey of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol?
The InChIKey is SUZAGBVJJYCZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-27-18-4-14-13(2-3-21-17(14)5-16(18)20)15-7-23-25-8-11(6-22-19(15)25)24-9-12(26)10-24/h2-8,12,26H,9-10H2,1H3.
What are the key properties of 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol?
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol has a molecular weight of 365.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol is sourced from PubChem (CID 142464334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).