N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide

C24H20N4O4 — CID 3245156

IUPACN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-27-19-8-4-3-7-18(19)20-21(23(29)25-14-17-6-5-13-32-17)26-28(24(30)22(20)27)15-9-11-16(31-2)12-10-15/h3-13H,14H2,1-2H3,(H,25,29)
InChIKeyXNWGEYRBSPQZBB-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.41
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide

N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide (PubChem CID 3245156) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
PubChem CID3245156
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1
InChIInChI=1S/C24H20N4O4/c1-27-19-8-4-3-7-18(19)20-21(23(29)25-14-17-6-5-13-32-17)26-28(24(30)22(20)27)15-9-11-16(31-2)12-10-15/h3-13H,14H2,1-2H3,(H,25,29)
InChIKeyXNWGEYRBSPQZBB-UHFFFAOYSA-N
XLogP3.41
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
CID 45105267
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide
CID 2975165
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
N-[2-(dimethylamino)-2-phenylethyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 3372555
3-{[(4-Ethoxyphenyl)carbamoyl]methyl}-1-methyl-1H-indole-2-carboxylic acid
CID 4226872
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 7117518
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 16194637
(E)-N-(2-(2-((2-methyl-1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135650466
5-(benzyloxy)-N-[2-(diethylamino)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 1947235
2-(4-(furan-2-carbonyl)piperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 2016055
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
5-[3-(1-benzylpiperidin-4-yl)propoxy]-1-methyl-N-prop-2-ynylindole-2-carboxamide
CID 76332875

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide (CID 3245156) is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccco3)c3c4ccccc4n(C)c3c2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
The InChIKey is XNWGEYRBSPQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-27-19-8-4-3-7-18(19)20-21(23(29)25-14-17-6-5-13-32-17)26-28(24(30)22(20)27)15-9-11-16(31-2)12-10-15/h3-13H,14H2,1-2H3,(H,25,29).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide?
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide is sourced from PubChem (CID 3245156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).