(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone

C18H26FN3O — CID 133108251

IUPAC(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone
SMILESCC(C)CC1CC(C(=O)N2CCc3ccc(F)cc3C2C)NN1
InChIInChI=1S/C18H26FN3O/c1-11(2)8-15-10-17(21-20-15)18(23)22-7-6-13-4-5-14(19)9-16(13)12(22)3/h4-5,9,11-12,15,17,20-21H,6-8,10H2,1-3H3
InChIKeyDWJOWRFLDJMFKP-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.55
Rot. Bonds3

About (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone

(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone (PubChem CID 133108251) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone
PubChem CID133108251
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone
SMILESCC(C)CC1CC(C(=O)N2CCc3ccc(F)cc3C2C)NN1
InChIInChI=1S/C18H26FN3O/c1-11(2)8-15-10-17(21-20-15)18(23)22-7-6-13-4-5-14(19)9-16(13)12(22)3/h4-5,9,11-12,15,17,20-21H,6-8,10H2,1-3H3
InChIKeyDWJOWRFLDJMFKP-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone with MolForge

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Related Compounds

(2,4-difluorophenyl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954607
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 118766923
6-ethyl-4-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyridin-2-one
CID 74247646
7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxan-3-yl)methanone
CID 84584149
1-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 96521690
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 86954667
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 77082839
5-[(1S)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1H-pyrrole-3-carboxamide
CID 96528884
2-(3,4-dimethylphenoxy)-1-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86954610
(4,5-dichloro-1-methylpyrrol-2-yl)-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 86954520
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone?
The IUPAC name of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone (CID 133108251) is (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone is CC(C)CC1CC(C(=O)N2CCc3ccc(F)cc3C2C)NN1.
What is the InChIKey of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone?
The InChIKey is DWJOWRFLDJMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-11(2)8-15-10-17(21-20-15)18(23)22-7-6-13-4-5-14(19)9-16(13)12(22)3/h4-5,9,11-12,15,17,20-21H,6-8,10H2,1-3H3.
What are the key properties of (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone?
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone has a molecular weight of 319.42 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[5-(2-methylpropyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 133108251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).