4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one

C29H27ClFN5O4 — CID 147445142

IUPAC4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCOCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(F)c2)cc1=O
InChIInChI=1S/C29H27ClFN5O4/c1-34-14-19-10-18(4-6-23(19)33-34)11-26(37)25(8-9-39-2)36-15-27(40-3)22(13-29(36)38)21-12-20(30)5-7-24(21)35-16-28(31)32-17-35/h4-7,10,12-17,25H,8-9,11H2,1-3H3
InChIKeyDWYZRHJNWAZDID-UHFFFAOYSA-N
MW564.02 g/mol
LogP4.78
Rot. Bonds10

About 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one

4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (PubChem CID 147445142) has the molecular formula C29H27ClFN5O4 and a molecular weight of 564.02 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
PubChem CID147445142
Molecular FormulaC29H27ClFN5O4
Molecular Weight564.02 g/mol
Exact Mass563.17
IUPAC Name4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
SMILESCOCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(F)c2)cc1=O
InChIInChI=1S/C29H27ClFN5O4/c1-34-14-19-10-18(4-6-23(19)33-34)11-26(37)25(8-9-39-2)36-15-27(40-3)22(13-29(36)38)21-12-20(30)5-7-24(21)35-16-28(31)32-17-35/h4-7,10,12-17,25H,8-9,11H2,1-3H3
InChIKeyDWYZRHJNWAZDID-UHFFFAOYSA-N
XLogP4.78
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.02
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one with MolForge

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Related Compounds

4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 147607856
4-[3-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]benzoic acid
CID 160679709
4-[5-chloro-2-(1,3-oxazol-5-yl)phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]pyridin-2-one
CID 158903216
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1-[1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one
CID 157250809
2-[4-[5-chloro-2-(1,2,4-triazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid
CID 135205840
2-[4-[5-chloro-2-(3-chloro-1,2-oxazol-5-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
CID 135211513
4-[3-[4-[5-chloro-2-(1,3-oxazol-4-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 160580148
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 147980356
2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 135315721
4-[3-[4-[5-chloro-2-(1,3,4-oxadiazol-2-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 152858501
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-1-[(3S)-1-[2-(difluoromethyl)indazol-5-yl]-2-oxopentan-3-yl]-5-methoxypyridin-2-one
CID 147679116
4-[[2-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135206033

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one (CID 147445142) is 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is COCCC(C(=O)Cc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnc(F)c2)cc1=O.
What is the InChIKey of 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
The InChIKey is DWYZRHJNWAZDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClFN5O4/c1-34-14-19-10-18(4-6-23(19)33-34)11-26(37)25(8-9-39-2)36-15-27(40-3)22(13-29(36)38)21-12-20(30)5-7-24(21)35-16-28(31)32-17-35/h4-7,10,12-17,25H,8-9,11H2,1-3H3.
What are the key properties of 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one?
4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one has a molecular weight of 564.02 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-1-[5-methoxy-1-(2-methylindazol-5-yl)-2-oxopentan-3-yl]pyridin-2-one is sourced from PubChem (CID 147445142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).