2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide

C31H34ClN3O5 — CID 138655967

IUPAC2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCOc1cn(C(CCOC(C)(C)C)C(=O)Nc2cccc3[nH]ccc23)c(=O)cc1-c1cc(Cl)ccc1CC(C)=O
InChIInChI=1S/C31H34ClN3O5/c1-19(36)15-20-9-10-21(32)16-23(20)24-17-29(37)35(18-28(24)39-5)27(12-14-40-31(2,3)4)30(38)34-26-8-6-7-25-22(26)11-13-33-25/h6-11,13,16-18,27,33H,12,14-15H2,1-5H3,(H,34,38)
InChIKeyDBBCBZMGDBJZFQ-UHFFFAOYSA-N
MW564.08 g/mol
LogP6.18
Rot. Bonds10

About 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide

2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 138655967) has the molecular formula C31H34ClN3O5 and a molecular weight of 564.08 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID138655967
Molecular FormulaC31H34ClN3O5
Molecular Weight564.08 g/mol
Exact Mass563.22
IUPAC Name2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCOc1cn(C(CCOC(C)(C)C)C(=O)Nc2cccc3[nH]ccc23)c(=O)cc1-c1cc(Cl)ccc1CC(C)=O
InChIInChI=1S/C31H34ClN3O5/c1-19(36)15-20-9-10-21(32)16-23(20)24-17-29(37)35(18-28(24)39-5)27(12-14-40-31(2,3)4)30(38)34-26-8-6-7-25-22(26)11-13-33-25/h6-11,13,16-18,27,33H,12,14-15H2,1-5H3,(H,34,38)
InChIKeyDBBCBZMGDBJZFQ-UHFFFAOYSA-N
XLogP6.18
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.08
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide with MolForge

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Related Compounds

4-[[2-[4-(5-chloro-2-propanoylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoic acid
CID 134323512
methyl 4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoate
CID 126651385
2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 122550195
methyl 4-[[2-[4-[5-chloro-2-(1,2-oxazolidin-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoate
CID 145226741
4-[(3R)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoic acid;4-[(3S)-3-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoic acid
CID 157261062
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
methyl 4-[3-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoate
CID 159665385
ethyl 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-[(2-methylpropan-2-yl)oxy]-2-oxopentyl]benzoate
CID 147234491
4-(2-acetyl-5-chlorophenyl)-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylpropan-2-yl)oxy]-2-oxopentan-3-yl]-5-methoxypyridin-2-one
CID 159809426
6-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 126651318
ethyl 4-[[2-[4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methyl-2-oxo-1-pyridinyl]-4-[(2-methylpropan-2-yl)oxy]butanoyl]amino]benzoate
CID 163989819
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)-4-methoxybutanamide
CID 166879666

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide (CID 138655967) is 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide is COc1cn(C(CCOC(C)(C)C)C(=O)Nc2cccc3[nH]ccc23)c(=O)cc1-c1cc(Cl)ccc1CC(C)=O.
What is the InChIKey of 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is DBBCBZMGDBJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O5/c1-19(36)15-20-9-10-21(32)16-23(20)24-17-29(37)35(18-28(24)39-5)27(12-14-40-31(2,3)4)30(38)34-26-8-6-7-25-22(26)11-13-33-25/h6-11,13,16-18,27,33H,12,14-15H2,1-5H3,(H,34,38).
What are the key properties of 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 564.08 g/mol, XLogP of 6.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-2-(2-oxopropyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(1H-indol-4-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 138655967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).