3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one

C26H23ClF2N4O3 — CID 166466961

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)C)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H23ClF2N4O3/c1-14(2)18-6-5-7-32(25(18)34)23-10-21(15(3)11-31-23)33-16(4)8-22(24(27)26(33)35)36-13-20-19(29)9-17(28)12-30-20/h5-12,14H,13H2,1-4H3
InChIKeyWIBSCIIGFIRSRV-UHFFFAOYSA-N
MW512.94 g/mol
LogP5.03
Rot. Bonds6

About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one

3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one (PubChem CID 166466961) has the molecular formula C26H23ClF2N4O3 and a molecular weight of 512.94 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one
PubChem CID166466961
Molecular FormulaC26H23ClF2N4O3
Molecular Weight512.94 g/mol
Exact Mass512.14
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-n2cccc(C(C)C)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C26H23ClF2N4O3/c1-14(2)18-6-5-7-32(25(18)34)23-10-21(15(3)11-31-23)33-16(4)8-22(24(27)26(33)35)36-13-20-19(29)9-17(28)12-30-20/h5-12,14H,13H2,1-4H3
InChIKeyWIBSCIIGFIRSRV-UHFFFAOYSA-N
XLogP5.03
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.94
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one (CID 166466961) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-n2cccc(C(C)C)c2=O)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one?
The InChIKey is WIBSCIIGFIRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N4O3/c1-14(2)18-6-5-7-32(25(18)34)23-10-21(15(3)11-31-23)33-16(4)8-22(24(27)26(33)35)36-13-20-19(29)9-17(28)12-30-20/h5-12,14H,13H2,1-4H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one has a molecular weight of 512.94 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methyl-1-[5-methyl-2-(2-oxo-3-propan-2-yl-1-pyridinyl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 166466961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).