N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide

C26H22ClFN4O5 — CID 90061530

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCc1cnc[nH]1
InChIInChI=1S/C26H22ClFN4O5/c1-35-23-8-6-20(32-25(23)15-3-5-19(28)18(27)9-15)21(33)12-30-26(34)16-4-7-22(24(10-16)36-2)37-13-17-11-29-14-31-17/h3-11,14H,12-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyLUSZQNSURVMSDP-UHFFFAOYSA-N
MW524.94 g/mol
LogP4.47
Rot. Bonds10

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide (PubChem CID 90061530) has the molecular formula C26H22ClFN4O5 and a molecular weight of 524.94 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide
PubChem CID90061530
Molecular FormulaC26H22ClFN4O5
Molecular Weight524.94 g/mol
Exact Mass524.13
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCc1cnc[nH]1
InChIInChI=1S/C26H22ClFN4O5/c1-35-23-8-6-20(32-25(23)15-3-5-19(28)18(27)9-15)21(33)12-30-26(34)16-4-7-22(24(10-16)36-2)37-13-17-11-29-14-31-17/h3-11,14H,12-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyLUSZQNSURVMSDP-UHFFFAOYSA-N
XLogP4.47
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.94
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide (CID 90061530) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCc1cnc[nH]1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide?
The InChIKey is LUSZQNSURVMSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O5/c1-35-23-8-6-20(32-25(23)15-3-5-19(28)18(27)9-15)21(33)12-30-26(34)16-4-7-22(24(10-16)36-2)37-13-17-11-29-14-31-17/h3-11,14H,12-13H2,1-2H3,(H,29,31)(H,30,34).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide has a molecular weight of 524.94 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(1H-imidazol-5-ylmethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).