5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one

C24H25N5O4 — CID 53044085

IUPAC5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
SMILESCCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C24H25N5O4/c1-3-18(22(30)27-10-12-28(13-11-27)23(31)20-9-6-14-33-20)29-19-8-5-4-7-16(19)17-15-25-26(2)24(32)21(17)29/h4-9,14-15,18H,3,10-13H2,1-2H3
InChIKeyBLJKZGAJXKTSMG-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.42
Rot. Bonds4

About 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one

5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one (PubChem CID 53044085) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
PubChem CID53044085
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
SMILESCCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C24H25N5O4/c1-3-18(22(30)27-10-12-28(13-11-27)23(31)20-9-6-14-33-20)29-19-8-5-4-7-16(19)17-15-25-26(2)24(32)21(17)29/h4-9,14-15,18H,3,10-13H2,1-2H3
InChIKeyBLJKZGAJXKTSMG-UHFFFAOYSA-N
XLogP2.42
TPSA93.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one with MolForge

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Related Compounds

(2R)-N-[2-(furan-2-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95064558
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide
CID 53044114
(2R)-N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059426
3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
CID 6623617
(2R)-N-cyclooctyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95064515
(2S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064601
(2S)-N-[(4-methoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059407
N-[1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055052
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53055029
6-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 20894006
5-[1-[4-(4-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53043993
5-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 95059221

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one (CID 53044085) is 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one is CCC(C(=O)N1CCN(C(=O)c2ccco2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is BLJKZGAJXKTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-3-18(22(30)27-10-12-28(13-11-27)23(31)20-9-6-14-33-20)29-19-8-5-4-7-16(19)17-15-25-26(2)24(32)21(17)29/h4-9,14-15,18H,3,10-13H2,1-2H3.
What are the key properties of 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one?
5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 447.50 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 53044085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).