2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone

C18H24N6O — CID 167826857

IUPAC2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCc1ccc(N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2c2cn(C)cn2)nn1
InChIInChI=1S/C18H24N6O/c1-12-3-6-17(22-21-12)20-16-10-24(18(25)7-13-4-5-13)8-14(16)15-9-23(2)11-19-15/h3,6,9,11,13-14,16H,4-5,7-8,10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1
InChIKeyLKHDBOPVBLAAHM-GOEBONIOSA-N
MW340.43 g/mol
LogP1.73
Rot. Bonds5

About 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone

2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 167826857) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone
PubChem CID167826857
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone
SMILESCc1ccc(N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2c2cn(C)cn2)nn1
InChIInChI=1S/C18H24N6O/c1-12-3-6-17(22-21-12)20-16-10-24(18(25)7-13-4-5-13)8-14(16)15-9-23(2)11-19-15/h3,6,9,11,13-14,16H,4-5,7-8,10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1
InChIKeyLKHDBOPVBLAAHM-GOEBONIOSA-N
XLogP1.73
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone 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

cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone
CID 154767261
6-[[(3S,4R)-1-(2-cyclopropylacetyl)-4-(1-methylimidazol-4-yl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 154767270
1-[(4aS,8R,8aS)-8-[(6-methylpyridazin-3-yl)amino]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
CID 155828783
2-cyclopropyl-1-[2-[[(6-methylpyridazin-3-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97390376
1-[(3S,4R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]ethanone
CID 167832226
(3S,4S)-N-cyclopropyl-1-[2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carbonyl]-4-(1-methylimidazol-4-yl)pyrrolidine-3-carboxamide
CID 138031730
2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 154767474
6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine
CID 91784637
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 56778576
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56802128
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone (CID 167826857) is 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone is Cc1ccc(N[C@@H]2CN(C(=O)CC3CC3)C[C@H]2c2cn(C)cn2)nn1.
What is the InChIKey of 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is LKHDBOPVBLAAHM-GOEBONIOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-3-6-17(22-21-12)20-16-10-24(18(25)7-13-4-5-13)8-14(16)15-9-23(2)11-19-15/h3,6,9,11,13-14,16H,4-5,7-8,10H2,1-2H3,(H,20,22)/t14-,16+/m0/s1.
What are the key properties of 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone?
2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 167826857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).