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

C17H22N6O — CID 154767261

IUPACcyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1ccc(N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cn(C)cn2)nn1
InChIInChI=1S/C17H22N6O/c1-11-3-6-16(21-20-11)19-15-9-23(17(24)12-4-5-12)7-13(15)14-8-22(2)10-18-14/h3,6,8,10,12-13,15H,4-5,7,9H2,1-2H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyNXCQOEVDIFZDLH-DZGCQCFKSA-N
MW326.40 g/mol
LogP1.34
Rot. Bonds4

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

cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone (PubChem CID 154767261) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone
PubChem CID154767261
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Namecyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone
SMILESCc1ccc(N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cn(C)cn2)nn1
InChIInChI=1S/C17H22N6O/c1-11-3-6-16(21-20-11)19-15-9-23(17(24)12-4-5-12)7-13(15)14-8-22(2)10-18-14/h3,6,8,10,12-13,15H,4-5,7,9H2,1-2H3,(H,19,21)/t13-,15+/m0/s1
InChIKeyNXCQOEVDIFZDLH-DZGCQCFKSA-N
XLogP1.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone (CID 154767261) is cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone is Cc1ccc(N[C@@H]2CN(C(=O)C3CC3)C[C@H]2c2cn(C)cn2)nn1.
What is the InChIKey of cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone?
The InChIKey is NXCQOEVDIFZDLH-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-3-6-16(21-20-11)19-15-9-23(17(24)12-4-5-12)7-13(15)14-8-22(2)10-18-14/h3,6,8,10,12-13,15H,4-5,7,9H2,1-2H3,(H,19,21)/t13-,15+/m0/s1.
What are the key properties of cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone?
cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4S)-3-(1-methylimidazol-4-yl)-4-[(6-methylpyridazin-3-yl)amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154767261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).