(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide

C22H22N4O2 — CID 95064644

IUPAC(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C22H22N4O2/c1-14-8-4-5-9-16(14)12-23-21(27)15(2)26-19-11-7-6-10-17(19)18-13-24-25(3)22(28)20(18)26/h4-11,13,15H,12H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyKMLFLVGQXMDAFW-OAHLLOKOSA-N
MW374.44 g/mol
LogP3.07
Rot. Bonds4

About (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide

(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 95064644) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID95064644
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C22H22N4O2/c1-14-8-4-5-9-16(14)12-23-21(27)15(2)26-19-11-7-6-10-17(19)18-13-24-25(3)22(28)20(18)26/h4-11,13,15H,12H2,1-3H3,(H,23,27)/t15-/m1/s1
InChIKeyKMLFLVGQXMDAFW-OAHLLOKOSA-N
XLogP3.07
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide 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

N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
(2S)-N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064642
N-[(4-ethoxyphenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055069
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95116877
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoic acid
CID 6623394
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 53207440
(2R)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064603
(2R)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059302
(2S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064601
N-[1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055052
(2S)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059123
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53043793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide (CID 95064644) is (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is KMLFLVGQXMDAFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-8-4-5-9-16(14)12-23-21(27)15(2)26-19-11-7-6-10-17(19)18-13-24-25(3)22(28)20(18)26/h4-11,13,15H,12H2,1-3H3,(H,23,27)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide?
(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 95064644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).