5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one

C19H16FN3O — CID 135306239

IUPAC5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one
SMILESCc1cccn2ncc(C3=NC(C)(C)C(=O)c4c(F)cccc43)c12
InChIInChI=1S/C19H16FN3O/c1-11-6-5-9-23-17(11)13(10-21-23)16-12-7-4-8-14(20)15(12)18(24)19(2,3)22-16/h4-10H,1-3H3
InChIKeyATWVZKFSMBUQNO-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.59
Rot. Bonds1

About 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one

5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one (PubChem CID 135306239) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one.

Molecular Properties

Compound Name5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one
PubChem CID135306239
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one
SMILESCc1cccn2ncc(C3=NC(C)(C)C(=O)c4c(F)cccc43)c12
InChIInChI=1S/C19H16FN3O/c1-11-6-5-9-23-17(11)13(10-21-23)16-12-7-4-8-14(20)15(12)18(24)19(2,3)22-16/h4-10H,1-3H3
InChIKeyATWVZKFSMBUQNO-UHFFFAOYSA-N
XLogP3.59
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)-5-fluoro-3,3-dimethylisoquinolin-4-one
CID 118368643
3,4-difluoropyrazolo[1,5-a]pyridine
CID 175869009
4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
CID 135250258
5-fluoro-3,3,4,4-tetramethyl-1-pyrrolo[1,2-b]pyridazin-3-ylisoquinoline;trifluoromethanesulfonic acid
CID 159589570
5-fluoro-3,3-dimethyl-1-(2-methylpyrrolo[1,2-b]pyridazin-3-yl)-4H-isoquinoline
CID 118302961
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 157017887
2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetaldehyde
CID 83874225
3,3-diethyl-5-fluoro-1-pyrrolo[1,2-b]pyridazin-3-yl-4H-isoquinoline
CID 118302976
3-[3-(4-fluoro-7-methylindol-1-yl)phenyl]pyrazolo[1,5-a]pyridine
CID 170158300
5-fluoro-3,3,4,4-tetramethyl-1-(6-methylpyrrolo[1,2-b]pyridazin-3-yl)isoquinoline
CID 118302964
2-amino-2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83832734
5-fluoro-1,3-dimethylfluoren-9-one
CID 82579551

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one?
The IUPAC name of 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one (CID 135306239) is 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one.
What is the SMILES notation for 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one?
The canonical SMILES for 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one is Cc1cccn2ncc(C3=NC(C)(C)C(=O)c4c(F)cccc43)c12.
What is the InChIKey of 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one?
The InChIKey is ATWVZKFSMBUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-11-6-5-9-23-17(11)13(10-21-23)16-12-7-4-8-14(20)15(12)18(24)19(2,3)22-16/h4-10H,1-3H3.
What are the key properties of 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one?
5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one has a molecular weight of 321.36 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethyl-1-(4-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinolin-4-one is sourced from PubChem (CID 135306239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).