4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide

C24H33N5O2 — CID 93052166

IUPAC4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide
SMILESC[C@H]1CCCN(CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)C1
InChIInChI=1S/C24H33N5O2/c1-18-8-5-13-28(17-18)14-7-12-25-22(30)11-6-15-29-21-10-4-3-9-19(21)20-16-26-27(2)24(31)23(20)29/h3-4,9-10,16,18H,5-8,11-15,17H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeySNUXTQLWFYFBJB-SFHVURJKSA-N
MW423.56 g/mol
LogP2.91
Rot. Bonds8

About 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide

4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide (PubChem CID 93052166) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide
PubChem CID93052166
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide
SMILESC[C@H]1CCCN(CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)C1
InChIInChI=1S/C24H33N5O2/c1-18-8-5-13-28(17-18)14-7-12-25-22(30)11-6-15-29-21-10-4-3-9-19(21)20-16-26-27(2)24(31)23(20)29/h3-4,9-10,16,18H,5-8,11-15,17H2,1-2H3,(H,25,30)/t18-/m0/s1
InChIKeySNUXTQLWFYFBJB-SFHVURJKSA-N
XLogP2.91
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 53043961
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 95059171
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 95059172
3-(3-methyl-2-oxoquinoxalin-1-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 92869637
N-[3-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95064505
N-(1-benzylpiperidin-4-yl)-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53022912
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880
5-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53022874
N-[3-(4-methylpiperazin-1-yl)propyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892927
N-[(1S)-1-(1-adamantyl)ethyl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 93052161
N-(3-ethoxypropyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043949
N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide?
The IUPAC name of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide (CID 93052166) is 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide.
What is the SMILES notation for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide?
The canonical SMILES for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide is C[C@H]1CCCN(CCCNC(=O)CCCn2c3ccccc3c3cnn(C)c(=O)c32)C1.
What is the InChIKey of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide?
The InChIKey is SNUXTQLWFYFBJB-SFHVURJKSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-18-8-5-13-28(17-18)14-7-12-25-22(30)11-6-15-29-21-10-4-3-9-19(21)20-16-26-27(2)24(31)23(20)29/h3-4,9-10,16,18H,5-8,11-15,17H2,1-2H3,(H,25,30)/t18-/m0/s1.
What are the key properties of 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide?
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide has a molecular weight of 423.56 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]butanamide is sourced from PubChem (CID 93052166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).