3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one

C20H24N4O2 — CID 53043794

IUPAC3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one
SMILESCC1CCCN(C(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)C1
InChIInChI=1S/C20H24N4O2/c1-13-7-6-10-23(12-13)19(25)14(2)24-17-9-5-4-8-15(17)16-11-21-22(3)20(26)18(16)24/h4-5,8-9,11,13-14H,6-7,10,12H2,1-3H3
InChIKeyODHXFFGCPVBOEY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one

3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one (PubChem CID 53043794) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one
PubChem CID53043794
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one
SMILESCC1CCCN(C(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)C1
InChIInChI=1S/C20H24N4O2/c1-13-7-6-10-23(12-13)19(25)14(2)24-17-9-5-4-8-15(17)16-11-21-22(3)20(26)18(16)24/h4-5,8-9,11,13-14H,6-7,10,12H2,1-3H3
InChIKeyODHXFFGCPVBOEY-UHFFFAOYSA-N
XLogP2.71
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one with MolForge

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Related Compounds

3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
CID 6623617
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoic acid
CID 6623394
5-[(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 95059221
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-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 95059195
5-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53044001
3-methyl-5-[(2R)-1-oxo-1-piperidin-1-ylbutan-2-yl]pyridazino[4,5-b]indol-4-one
CID 95059380
(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 95059258
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 53207440
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one (CID 53043794) is 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one is CC1CCCN(C(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)C1.
What is the InChIKey of 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one?
The InChIKey is ODHXFFGCPVBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-7-6-10-23(12-13)19(25)14(2)24-17-9-5-4-8-15(17)16-11-21-22(3)20(26)18(16)24/h4-5,8-9,11,13-14H,6-7,10,12H2,1-3H3.
What are the key properties of 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one?
3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one has a molecular weight of 352.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 53043794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).