tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate

C24H26N4O4 — CID 162683615

IUPACtert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
SMILESCOc1ccc2c(c1)c1cnn(Cc3cccc(NC(=O)OC(C)(C)C)c3)c(=O)c1n2C
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)26-16-8-6-7-15(11-16)14-28-22(29)21-19(13-25-28)18-12-17(31-5)9-10-20(18)27(21)4/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyHBHPUVORSJWRRI-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.29
Rot. Bonds4

About tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate

tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate (PubChem CID 162683615) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
PubChem CID162683615
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
SMILESCOc1ccc2c(c1)c1cnn(Cc3cccc(NC(=O)OC(C)(C)C)c3)c(=O)c1n2C
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)26-16-8-6-7-15(11-16)14-28-22(29)21-19(13-25-28)18-12-17(31-5)9-10-20(18)27(21)4/h6-13H,14H2,1-5H3,(H,26,30)
InChIKeyHBHPUVORSJWRRI-UHFFFAOYSA-N
XLogP4.29
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate with MolForge

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Related Compounds

3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683538
4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
CID 140869030
3-[(3-acetylphenyl)methyl]-8-(benzenesulfonyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 154681963
10-[(3-methoxyphenyl)methyl]-7-methyl-4-[(R)-methylsulfinyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 93473084
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
tert-butyl N-[3-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
CID 112748949
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate (CID 162683615) is tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate is COc1ccc2c(c1)c1cnn(Cc3cccc(NC(=O)OC(C)(C)C)c3)c(=O)c1n2C.
What is the InChIKey of tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate?
The InChIKey is HBHPUVORSJWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)26-16-8-6-7-15(11-16)14-28-22(29)21-19(13-25-28)18-12-17(31-5)9-10-20(18)27(21)4/h6-13H,14H2,1-5H3,(H,26,30).
What are the key properties of tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate?
tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate has a molecular weight of 434.50 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 162683615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).