N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide

C27H24N4O3 — CID 6619574

IUPACN-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C27H24N4O3/c1-29(17-18-9-5-4-6-10-18)26(32)24-23-21-11-7-8-12-22(21)30(2)25(23)27(33)31(28-24)19-13-15-20(34-3)16-14-19/h4-16H,17H2,1-3H3
InChIKeyXLCVSCBMVJSCEJ-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.16
Rot. Bonds5

About N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide

N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide (PubChem CID 6619574) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
PubChem CID6619574
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C27H24N4O3/c1-29(17-18-9-5-4-6-10-18)26(32)24-23-21-11-7-8-12-22(21)30(2)25(23)27(33)31(28-24)19-13-15-20(34-3)16-14-19/h4-16H,17H2,1-3H3
InChIKeyXLCVSCBMVJSCEJ-UHFFFAOYSA-N
XLogP4.16
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
N-(5-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856022
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20855993
N-benzyl-N,2,9-trimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 126458147
N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15999115
3-(4-methoxyphenyl)-5-methyl-N-(3-methylsulfanylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856075
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856016
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55593523
1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20856060
3-(3-chloro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 46254771
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenylbutan-2-yl)pyridazino[4,5-b]indole-1-carboxamide
CID 6622017

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide (CID 6619574) is N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide is COc1ccc(-n2nc(C(=O)N(C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The InChIKey is XLCVSCBMVJSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-29(17-18-9-5-4-6-10-18)26(32)24-23-21-11-7-8-12-22(21)30(2)25(23)27(33)31(28-24)19-13-15-20(34-3)16-14-19/h4-16H,17H2,1-3H3.
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide is sourced from PubChem (CID 6619574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).