4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one

C24H26ClN3O3 — CID 66872771

IUPAC4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
SMILESCO[C@@H]1CCN(CCc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc2)C1
InChIInChI=1S/C24H26ClN3O3/c1-30-23-9-12-27(16-23)11-8-18-2-6-21(7-3-18)28-13-10-22(14-24(28)29)31-17-20-5-4-19(25)15-26-20/h2-7,10,13-15,23H,8-9,11-12,16-17H2,1H3/t23-/m1/s1
InChIKeyYYRBMHOCKUSVEU-HSZRJFAPSA-N
MW439.94 g/mol
LogP3.73
Rot. Bonds8

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one (PubChem CID 66872771) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
PubChem CID66872771
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one
SMILESCO[C@@H]1CCN(CCc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc2)C1
InChIInChI=1S/C24H26ClN3O3/c1-30-23-9-12-27(16-23)11-8-18-2-6-21(7-3-18)28-13-10-22(14-24(28)29)31-17-20-5-4-19(25)15-26-20/h2-7,10,13-15,23H,8-9,11-12,16-17H2,1H3/t23-/m1/s1
InChIKeyYYRBMHOCKUSVEU-HSZRJFAPSA-N
XLogP3.73
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[2-[(4-methoxycyclohexyl)amino]ethylamino]-3-pyridinyl]pyridin-2-one
CID 66831802
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-(2-cyclopropyl-2-hydroxyethoxy)phenyl]pyridin-2-one
CID 53476498
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[(2S)-2-(diethylamino)propoxy]phenyl]pyridin-2-one
CID 11510514
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(hydroxymethyl)-3-methylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 69081815
1-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]-4-[(5-chloro-2-pyridinyl)methoxy]pyridin-2-one
CID 66823430
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclopentylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641787
4-[(5-chloro-2-pyridinyl)methoxy]-1-[2-(3-hydroxypropyl)-1-methylindol-6-yl]pyridin-2-one
CID 69080821
4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[3-(cyclohexylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 42641786
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;dihydrochloride
CID 68657399
4-[(5-chloro-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane
CID 159970322

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one (CID 66872771) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one is CO[C@@H]1CCN(CCc2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cc2)C1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one?
The InChIKey is YYRBMHOCKUSVEU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-30-23-9-12-27(16-23)11-8-18-2-6-21(7-3-18)28-13-10-22(14-24(28)29)31-17-20-5-4-19(25)15-26-20/h2-7,10,13-15,23H,8-9,11-12,16-17H2,1H3/t23-/m1/s1.
What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one?
4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one has a molecular weight of 439.94 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl]phenyl]pyridin-2-one is sourced from PubChem (CID 66872771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).