3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C27H23ClF2N4O3 — CID 165398108

IUPAC3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccc3c(n2)C(C)(O)CC3)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C27H23ClF2N4O3/c1-14-11-31-20(19-5-4-16-6-7-27(3,36)25(16)33-19)10-22(14)34-15(2)8-23(24(28)26(34)35)37-13-21-18(30)9-17(29)12-32-21/h4-5,8-12,36H,6-7,13H2,1-3H3
InChIKeyZJFVUVKJGZKTKC-UHFFFAOYSA-N
MW524.96 g/mol
LogP4.97
Rot. Bonds5

About 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 165398108) has the molecular formula C27H23ClF2N4O3 and a molecular weight of 524.96 g/mol. Its IUPAC name is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID165398108
Molecular FormulaC27H23ClF2N4O3
Molecular Weight524.96 g/mol
Exact Mass524.14
IUPAC Name3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccc3c(n2)C(C)(O)CC3)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C27H23ClF2N4O3/c1-14-11-31-20(19-5-4-16-6-7-27(3,36)25(16)33-19)10-22(14)34-15(2)8-23(24(28)26(34)35)37-13-21-18(30)9-17(29)12-32-21/h4-5,8-12,36H,6-7,13H2,1-3H3
InChIKeyZJFVUVKJGZKTKC-UHFFFAOYSA-N
XLogP4.97
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.96
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-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]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 165398108) is 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2ccc3c(n2)C(C)(O)CC3)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]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is ZJFVUVKJGZKTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N4O3/c1-14-11-31-20(19-5-4-16-6-7-27(3,36)25(16)33-19)10-22(14)34-15(2)8-23(24(28)26(34)35)37-13-21-18(30)9-17(29)12-32-21/h4-5,8-12,36H,6-7,13H2,1-3H3.
What are the key properties of 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 524.96 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 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]-1-[2-(7-hydroxy-7-methyl-5,6-dihydrocyclopenta[b]pyridin-2-yl)-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 165398108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).