N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide

C25H22N6O2 — CID 134392299

IUPACN-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccncn1
InChIInChI=1S/C25H22N6O2/c1-4-30(20-13-14-26-15-27-20)24(32)22-21-18-7-5-6-8-19(18)29(3)23(21)25(33)31(28-22)17-11-9-16(2)10-12-17/h5-15H,4H2,1-3H3
InChIKeyLVMKEMQLLKXBMN-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide

N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide (PubChem CID 134392299) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide
PubChem CID134392299
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide
SMILESCCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccncn1
InChIInChI=1S/C25H22N6O2/c1-4-30(20-13-14-26-15-27-20)24(32)22-21-18-7-5-6-8-19(18)29(3)23(21)25(33)31(28-22)17-11-9-16(2)10-12-17/h5-15H,4H2,1-3H3
InChIKeyLVMKEMQLLKXBMN-UHFFFAOYSA-N
XLogP3.64
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide 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-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15999115
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-3-(4-methylphenyl)pyridazino[4,5-b]indol-4-one;ethane;N-ethyl-5-methyl-4-oxo-3-phenyl-N-pyridin-4-ylpyridazino[4,5-b]indole-1-carboxamide
CID 144728443
N-ethyl-5,9-dimethyl-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 87055362
N-ethyl-5-(isocyanomethyl)-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 123792597
N-(3-ethylphenyl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15992704
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15999118
N-(1,3-benzodioxol-5-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15994399
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
5-methyl-3-(4-methylphenyl)-4-oxo-N-(4-phenylbutan-2-yl)pyridazino[4,5-b]indole-1-carboxamide
CID 6622017
N-benzyl-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 6619574
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856055
N-(5-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-N,5-dimethyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20856022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide?
The IUPAC name of N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide (CID 134392299) is N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide is CCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccncn1.
What is the InChIKey of N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide?
The InChIKey is LVMKEMQLLKXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-4-30(20-13-14-26-15-27-20)24(32)22-21-18-7-5-6-8-19(18)29(3)23(21)25(33)31(28-22)17-11-9-16(2)10-12-17/h5-15H,4H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide?
N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-3-(4-methylphenyl)-4-oxo-N-pyrimidin-4-ylpyridazino[4,5-b]indole-1-carboxamide is sourced from PubChem (CID 134392299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).