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

C28H25Cl2N5O5 — CID 135211513

IUPAC2-[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
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(Cl)no2)cc1=O
InChIInChI=1S/C28H25Cl2N5O5/c1-34-14-16-10-18(5-7-22(16)32-34)31-28(37)23(8-9-38-2)35-15-25(39-3)21(12-27(35)36)20-11-17(29)4-6-19(20)24-13-26(30)33-40-24/h4-7,10-15,23H,8-9H2,1-3H3,(H,31,37)
InChIKeyKOOPULMUYDUHAS-UHFFFAOYSA-N
MW582.44 g/mol
LogP5.59
Rot. Bonds9

About 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

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 (PubChem CID 135211513) has the molecular formula C28H25Cl2N5O5 and a molecular weight of 582.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID135211513
Molecular FormulaC28H25Cl2N5O5
Molecular Weight582.44 g/mol
Exact Mass581.12
IUPAC Name2-[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
SMILESCOCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(Cl)no2)cc1=O
InChIInChI=1S/C28H25Cl2N5O5/c1-34-14-16-10-18(5-7-22(16)32-34)31-28(37)23(8-9-38-2)35-15-25(39-3)21(12-27(35)36)20-11-17(29)4-6-19(20)24-13-26(30)33-40-24/h4-7,10-15,23H,8-9H2,1-3H3,(H,31,37)
InChIKeyKOOPULMUYDUHAS-UHFFFAOYSA-N
XLogP5.59
TPSA113.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135205719
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-[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
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
CID 135204928
(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 135206046
2-[15-chloro-10-(fluoromethyl)-4,8-dioxo-5,9-diazatricyclo[10.4.0.02,7]hexadeca-1(12),2,6,13,15-pentaen-5-yl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
CID 121247976
2-[4-[2-(1-amino-4,4-difluoro-3-oxobut-1-enyl)-5-chlorophenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)butanamide
CID 162598085
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
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-[[2-[4-[5-chloro-2-(4-chloroimidazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135206033
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)-4-methoxybutanamide
CID 166879666
4-[[(2S)-2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]benzoic acid
CID 135205723

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cc(Cl)no2)cc1=O.
What is the InChIKey of 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?
The InChIKey is KOOPULMUYDUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N5O5/c1-34-14-16-10-18(5-7-22(16)32-34)31-28(37)23(8-9-38-2)35-15-25(39-3)21(12-27(35)36)20-11-17(29)4-6-19(20)24-13-26(30)33-40-24/h4-7,10-15,23H,8-9H2,1-3H3,(H,31,37).
What are the key properties of 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?
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 has a molecular weight of 582.44 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135211513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).