6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C20H21F3N6O — CID 158263473

IUPAC6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)[C@H](C)C2)cn1)C(F)(F)F
InChIInChI=1S/C20H21F3N6O/c1-13-12-28(7-8-29(13)18-6-4-16(10-24)26-27-18)19(30)9-15-3-5-17(25-11-15)14(2)20(21,22)23/h3-6,11,13-14H,7-9,12H2,1-2H3/t13-,14?/m1/s1
InChIKeyGIDRXRASSNUXQR-KWCCSABGSA-N
MW418.42 g/mol
LogP2.69
Rot. Bonds4

About 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 158263473) has the molecular formula C20H21F3N6O and a molecular weight of 418.42 g/mol. Its IUPAC name is 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID158263473
Molecular FormulaC20H21F3N6O
Molecular Weight418.42 g/mol
Exact Mass418.17
IUPAC Name6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)[C@H](C)C2)cn1)C(F)(F)F
InChIInChI=1S/C20H21F3N6O/c1-13-12-28(7-8-29(13)18-6-4-16(10-24)26-27-18)19(30)9-15-3-5-17(25-11-15)14(2)20(21,22)23/h3-6,11,13-14H,7-9,12H2,1-2H3/t13-,14?/m1/s1
InChIKeyGIDRXRASSNUXQR-KWCCSABGSA-N
XLogP2.69
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile 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

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]ethanone
CID 160987829
6-[(2R)-4-[2-[3-fluoro-4-(1-fluorocyclopropyl)phenyl]acetyl]-2-methylpiperazin-1-yl]pyridazine-3-carbonitrile
CID 142616933
1-(6-bromo-3-pyridinyl)-3-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]propan-2-one;6-[(3R)-3-[3-[6-(dimethylamino)-3-pyridinyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;bis(1-[(3S)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);bis(1-[(3R)-3-methyl-4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone);1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 157208911
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161855
4-[4-[(2S)-2-methyl-4-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperazin-1-yl]phthalazin-1-yl]benzonitrile;hydrochloride
CID 158180063
4-[4-[(2S)-4-[2-[4-(difluoromethoxy)phenyl]acetyl]-2-methylpiperazin-1-yl]phthalazin-1-yl]benzonitrile
CID 58379040
(4-propan-2-ylphenyl) 4-(6-ethynylpyridazin-3-yl)-3-methylpiperazine-1-carboxylate
CID 139548138
1-[4-[6-(aminomethyl)pyridazin-3-yl]piperazin-1-yl]-2-[4-(1,1,1-trifluoropropan-2-yl)phenyl]ethanone
CID 153436126
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139547804
2-[4-(difluoromethoxy)phenyl]-1-[(3S)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 58379051
6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 158263473) is 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is CC(c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)[C@H](C)C2)cn1)C(F)(F)F.
What is the InChIKey of 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is GIDRXRASSNUXQR-KWCCSABGSA-N. The full InChI is InChI=1S/C20H21F3N6O/c1-13-12-28(7-8-29(13)18-6-4-16(10-24)26-27-18)19(30)9-15-3-5-17(25-11-15)14(2)20(21,22)23/h3-6,11,13-14H,7-9,12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 418.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methyl-4-[2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 158263473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).