[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone

C17H16F3N3O3 — CID 166278158

IUPAC[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone
SMILESCOc1cnnc(OC)c1C(=O)N1CCC(F)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16F3N3O3/c1-25-13-8-21-22-15(26-2)14(13)16(24)23-4-3-17(20,9-23)10-5-11(18)7-12(19)6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyBTSUITNSEAGLSY-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.48
Rot. Bonds4

About [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone

[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone (PubChem CID 166278158) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone
PubChem CID166278158
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone
SMILESCOc1cnnc(OC)c1C(=O)N1CCC(F)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H16F3N3O3/c1-25-13-8-21-22-15(26-2)14(13)16(24)23-4-3-17(20,9-23)10-5-11(18)7-12(19)6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyBTSUITNSEAGLSY-UHFFFAOYSA-N
XLogP2.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
CID 129353088
N-[[4-[3-(3,5-difluorophenyl)-3-fluoropyrrolidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166403662
3-(3,5-difluorophenyl)-3-methoxypyrrolidine-1-carboxylic acid
CID 67441553
3-[3-fluoro-3-(3-fluoro-5-methylphenyl)pyrrolidine-1-carbonyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 155957466
5-[3-fluoro-3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 138023364
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
CID 117127348
tert-butyl 4-cyano-4-(3,5-difluorophenyl)piperidine-1-carboxylate
CID 156587453
(3-fluoro-4-methoxy-2-pyridinyl)-[3-hydroxy-3-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 167964755
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(3,3-diethylpyrrolidin-1-yl)-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone
CID 135108537
1-(2,4-dimethoxybenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259319

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone (CID 166278158) is [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone is COc1cnnc(OC)c1C(=O)N1CCC(F)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone?
The InChIKey is BTSUITNSEAGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-25-13-8-21-22-15(26-2)14(13)16(24)23-4-3-17(20,9-23)10-5-11(18)7-12(19)6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone?
[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone has a molecular weight of 367.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone is sourced from PubChem (CID 166278158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).