cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone

C26H32N6O — CID 157357359

IUPACcyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C
InChIInChI=1S/C26H32N6O/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyYLNLQAJADZOFKT-GOSISDBHSA-N
MW444.58 g/mol
LogP4.18
Rot. Bonds5

About cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone (PubChem CID 157357359) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
PubChem CID157357359
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Namecyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone
SMILESCc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C
InChIInChI=1S/C26H32N6O/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t18-/m1/s1
InChIKeyYLNLQAJADZOFKT-GOSISDBHSA-N
XLogP4.18
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone 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

Cirtuvivint
CID 132056570
Mrtx0902
CID 156526655
N-(3,4-difluorophenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855896
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
2-[[6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 146310366
Sos1-IN-11
CID 156526876
4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperazin-1-ylpyrido[3,4-d]pyridazin-1-amine
CID 156526894
1,6-Naphthyridine 28
CID 5330138
6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]nicotinamide
CID 25065064
N-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-ylmethyl}acetamide
CID 25065894

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone (CID 157357359) is cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone is Cc1cccc([C@@H](C)Nc2nnc(C)c3cnc(N4CCN(C(=O)C5CC5)CC4)cc23)c1C.
What is the InChIKey of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone?
The InChIKey is YLNLQAJADZOFKT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N6O/c1-16-6-5-7-21(17(16)2)18(3)28-25-22-14-24(27-15-23(22)19(4)29-30-25)31-10-12-32(13-11-31)26(33)20-8-9-20/h5-7,14-15,18,20H,8-13H2,1-4H3,(H,28,30)/t18-/m1/s1.
What are the key properties of cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone has a molecular weight of 444.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]-4-methylpyrido[3,4-d]pyridazin-7-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 157357359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).