N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C28H26N4O3 — CID 41057882

IUPACN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H26N4O3/c1-35-21-13-11-19(12-14-21)23(24-18-29-25-10-6-5-9-22(24)25)17-30-28(34)26-15-16-27(33)32(31-26)20-7-3-2-4-8-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/t23-/m0/s1
InChIKeyOLMHNHIJYQZMNS-QHCPKHFHSA-N
MW466.54 g/mol
LogP4.61
Rot. Bonds7

About N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 41057882) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID41057882
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H26N4O3/c1-35-21-13-11-19(12-14-21)23(24-18-29-25-10-6-5-9-22(24)25)17-30-28(34)26-15-16-27(33)32(31-26)20-7-3-2-4-8-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/t23-/m0/s1
InChIKeyOLMHNHIJYQZMNS-QHCPKHFHSA-N
XLogP4.61
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 41057882) is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is COc1ccc([C@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is OLMHNHIJYQZMNS-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-35-21-13-11-19(12-14-21)23(24-18-29-25-10-6-5-9-22(24)25)17-30-28(34)26-15-16-27(33)32(31-26)20-7-3-2-4-8-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/t23-/m0/s1.
What are the key properties of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 41057882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).