7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone

C21H18FN3O3 — CID 110616137

IUPAC7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c1-24-18(13-2-4-16(22)5-3-13)10-17(23-24)21(26)25-7-6-14-8-19-20(28-12-27-19)9-15(14)11-25/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyNNLQFMVYTPZIQW-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.15
Rot. Bonds2

About 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone

7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (PubChem CID 110616137) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
PubChem CID110616137
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
SMILESCn1nc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3/c1-24-18(13-2-4-16(22)5-3-13)10-17(23-24)21(26)25-7-6-14-8-19-20(28-12-27-19)9-15(14)11-25/h2-5,8-10H,6-7,11-12H2,1H3
InChIKeyNNLQFMVYTPZIQW-UHFFFAOYSA-N
XLogP3.15
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
1-[9-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133067782
[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110336870
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110406502
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110421450
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
CID 110618375
(4R)-1'-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-4-methylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 133065996
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
5-(7-fluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-3-carboxylic acid
CID 117414535
4'-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-5-propan-2-ylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,2'-morpholine]-6-one
CID 133070232

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The IUPAC name of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone (CID 110616137) is 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone.
What is the SMILES notation for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The canonical SMILES for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is Cn1nc(C(=O)N2CCc3cc4c(cc3C2)OCO4)cc1-c1ccc(F)cc1.
What is the InChIKey of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
The InChIKey is NNLQFMVYTPZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-24-18(13-2-4-16(22)5-3-13)10-17(23-24)21(26)25-7-6-14-8-19-20(28-12-27-19)9-15(14)11-25/h2-5,8-10H,6-7,11-12H2,1H3.
What are the key properties of 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone?
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone has a molecular weight of 379.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 110616137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).