3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one

C20H24N4O2 — CID 95059380

IUPAC3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one
SMILESCC[C@H](C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C20H24N4O2/c1-3-16(19(25)23-11-7-4-8-12-23)24-17-10-6-5-9-14(17)15-13-21-22(2)20(26)18(15)24/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYPBGPVFZNZIWFU-MRXNPFEDSA-N
MW352.44 g/mol
LogP2.85
Rot. Bonds3

About 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one

3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one (PubChem CID 95059380) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one
PubChem CID95059380
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one
SMILESCC[C@H](C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C20H24N4O2/c1-3-16(19(25)23-11-7-4-8-12-23)24-17-10-6-5-9-14(17)15-13-21-22(2)20(26)18(15)24/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyYPBGPVFZNZIWFU-MRXNPFEDSA-N
XLogP2.85
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
CID 6623617
5-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53044085
(2S)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-piperidin-1-ylethyl)butanamide
CID 95064518
(2S)-N-[2-(azepan-1-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059630
(2R)-N-cyclooctyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95064515
(2R)-N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 95059426
3-methyl-5-[(2R)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]pyridazino[4,5-b]indol-4-one
CID 99758597
3-methyl-5-[1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]pyridazino[4,5-b]indol-4-one
CID 53044075
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 53044136
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-phenylethyl)butanamide
CID 53044114
3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one
CID 53043794
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 53044116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one (CID 95059380) is 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one is CC[C@H](C(=O)N1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one?
The InChIKey is YPBGPVFZNZIWFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-16(19(25)23-11-7-4-8-12-23)24-17-10-6-5-9-14(17)15-13-21-22(2)20(26)18(15)24/h5-6,9-10,13,16H,3-4,7-8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one?
3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one has a molecular weight of 352.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 95059380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).