2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide

C28H27ClN6O4 — CID 135205442

IUPAC2-[4-(5-chloro-2-imidazol-1-ylphenyl)-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-n2ccnc2)cc1=O
InChIInChI=1S/C28H27ClN6O4/c1-33-15-18-12-20(5-6-23(18)32-33)31-28(37)25(8-11-38-2)35-16-26(39-3)22(14-27(35)36)21-13-19(29)4-7-24(21)34-10-9-30-17-34/h4-7,9-10,12-17,25H,8,11H2,1-3H3,(H,31,37)
InChIKeyHEMONLHVVQNSEO-UHFFFAOYSA-N
MW547.02 g/mol
LogP4.47
Rot. Bonds9

About 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide

2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205442) has the molecular formula C28H27ClN6O4 and a molecular weight of 547.02 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
PubChem CID135205442
Molecular FormulaC28H27ClN6O4
Molecular Weight547.02 g/mol
Exact Mass546.18
IUPAC Name2-[4-(5-chloro-2-imidazol-1-ylphenyl)-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-n2ccnc2)cc1=O
InChIInChI=1S/C28H27ClN6O4/c1-33-15-18-12-20(5-6-23(18)32-33)31-28(37)25(8-11-38-2)35-16-26(39-3)22(14-27(35)36)21-13-19(29)4-7-24(21)34-10-9-30-17-34/h4-7,9-10,12-17,25H,8,11H2,1-3H3,(H,31,37)
InChIKeyHEMONLHVVQNSEO-UHFFFAOYSA-N
XLogP4.47
TPSA105.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.02
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The IUPAC name of 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (CID 135205442) is 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-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-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The canonical SMILES for 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-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-n2ccnc2)cc1=O.
What is the InChIKey of 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
The InChIKey is HEMONLHVVQNSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O4/c1-33-15-18-12-20(5-6-23(18)32-33)31-28(37)25(8-11-38-2)35-16-26(39-3)22(14-27(35)36)21-13-19(29)4-7-24(21)34-10-9-30-17-34/h4-7,9-10,12-17,25H,8,11H2,1-3H3,(H,31,37).
What are the key properties of 2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide?
2-[4-(5-chloro-2-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 547.02 g/mol, XLogP of 4.47, 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-imidazol-1-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).