7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one

C19H23FN4O — CID 135401065

IUPAC7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCCN1CCC(c2nn(C)c3[nH]c(=O)c4cc(F)ccc4c23)CC1
InChIInChI=1S/C19H23FN4O/c1-3-8-24-9-6-12(7-10-24)17-16-14-5-4-13(20)11-15(14)19(25)21-18(16)23(2)22-17/h4-5,11-12H,3,6-10H2,1-2H3,(H,21,25)
InChIKeyMPGFUNOLCNHYQP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.14
Rot. Bonds3

About 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one

7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135401065) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135401065
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCCN1CCC(c2nn(C)c3[nH]c(=O)c4cc(F)ccc4c23)CC1
InChIInChI=1S/C19H23FN4O/c1-3-8-24-9-6-12(7-10-24)17-16-14-5-4-13(20)11-15(14)19(25)21-18(16)23(2)22-17/h4-5,11-12H,3,6-10H2,1-2H3,(H,21,25)
InChIKeyMPGFUNOLCNHYQP-UHFFFAOYSA-N
XLogP3.14
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135948855
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
3-cyclopropyl-4-(difluoromethyl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135645638
3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole
CID 173320165
6-fluoro-3-(1-heptylpiperidin-4-yl)-1,2-benzoxazole
CID 174359166
1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-3-methyl-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 135967452
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[2-[4-(6-fluoro-1,2-benzothiazol-3-yl)piperidin-1-yl]ethyl]-5-methylisoindole-1,3-dione;hydrochloride
CID 18467250
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974971
3-ethyl-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentan-3-ol
CID 18467342
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 170960894

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135401065) is 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one is CCCN1CCC(c2nn(C)c3[nH]c(=O)c4cc(F)ccc4c23)CC1.
What is the InChIKey of 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is MPGFUNOLCNHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-8-24-9-6-12(7-10-24)17-16-14-5-4-13(20)11-15(14)19(25)21-18(16)23(2)22-17/h4-5,11-12H,3,6-10H2,1-2H3,(H,21,25).
What are the key properties of 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one?
7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 342.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1-(1-propylpiperidin-4-yl)-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135401065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).