[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone

C18H15F3N4O — CID 129353088

IUPAC[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCn1cnc2c(C(=O)N3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccnc21
InChIInChI=1S/C18H15F3N4O/c1-24-10-23-15-14(2-4-22-16(15)24)17(26)25-5-3-18(21,9-25)11-6-12(19)8-13(20)7-11/h2,4,6-8,10H,3,5,9H2,1H3/t18-/m1/s1
InChIKeyIJOSFEJIAUIZNJ-GOSISDBHSA-N
MW360.34 g/mol
LogP2.96
Rot. Bonds2

About [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone

[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone (PubChem CID 129353088) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
PubChem CID129353088
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
SMILESCn1cnc2c(C(=O)N3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccnc21
InChIInChI=1S/C18H15F3N4O/c1-24-10-23-15-14(2-4-22-16(15)24)17(26)25-5-3-18(21,9-25)11-6-12(19)8-13(20)7-11/h2,4,6-8,10H,3,5,9H2,1H3/t18-/m1/s1
InChIKeyIJOSFEJIAUIZNJ-GOSISDBHSA-N
XLogP2.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418309
[3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3,5-dimethoxypyridazin-4-yl)methanone
CID 166278158
3-[3-fluoro-3-(3-fluoro-5-methylphenyl)pyrrolidine-1-carbonyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 155957466
N-[[4-[3-(3,5-difluorophenyl)-3-fluoropyrrolidine-1-carbonyl]phenyl]methyl]prop-2-enamide
CID 166403662
N-[(3R,4S)-3-hydroxy-4-phenylpiperidin-4-yl]-3-methylimidazo[4,5-b]pyridine-7-carboxamide;hydrochloride
CID 171712960
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[4,5-b]pyridine-7-carboxamide
CID 155952965
(1R,6S,8R)-N-(2-methylbutan-2-yl)-3-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 169418953
(3,3-diethylpyrrolidin-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386908
(3,3-diethylpyrrolidin-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830121
2,6-dioxa-9-azaspiro[4.5]decan-9-yl-(3-methyltriazolo[4,5-b]pyridin-7-yl)methanone
CID 138992709
[(3aR,5R,6R,7aS)-5-methoxy-6-(pyridin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone
CID 172664944
(4,4-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinyl-4-pyridinyl)methanone
CID 105388301

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone?
The IUPAC name of [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone (CID 129353088) is [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone?
The canonical SMILES for [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone is Cn1cnc2c(C(=O)N3CC[C@](F)(c4cc(F)cc(F)c4)C3)ccnc21.
What is the InChIKey of [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone?
The InChIKey is IJOSFEJIAUIZNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-24-10-23-15-14(2-4-22-16(15)24)17(26)25-5-3-18(21,9-25)11-6-12(19)8-13(20)7-11/h2,4,6-8,10H,3,5,9H2,1H3/t18-/m1/s1.
What are the key properties of [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone?
[(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone has a molecular weight of 360.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-difluorophenyl)-3-fluoropyrrolidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-7-yl)methanone is sourced from PubChem (CID 129353088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).