4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

C17H22F3N3O4 — CID 146218336

IUPAC4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC[C@@H]2CCCN2c2cn[nH]c(=O)c2C(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O4/c18-17(19,20)14-13(8-21-22-15(14)24)23-7-1-2-11(23)9-27-12-5-3-10(4-6-12)16(25)26/h8,10-12H,1-7,9H2,(H,22,24)(H,25,26)/t10?,11-,12?/m0/s1
InChIKeyWACRBJMBLXLOGC-CXQJBGSLSA-N
MW389.37 g/mol
LogP2.42
Rot. Bonds5

About 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid

4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (PubChem CID 146218336) has the molecular formula C17H22F3N3O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
PubChem CID146218336
Molecular FormulaC17H22F3N3O4
Molecular Weight389.37 g/mol
Exact Mass389.16
IUPAC Name4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OC[C@@H]2CCCN2c2cn[nH]c(=O)c2C(F)(F)F)CC1
InChIInChI=1S/C17H22F3N3O4/c18-17(19,20)14-13(8-21-22-15(14)24)23-7-1-2-11(23)9-27-12-5-3-10(4-6-12)16(25)26/h8,10-12H,1-7,9H2,(H,22,24)(H,25,26)/t10?,11-,12?/m0/s1
InChIKeyWACRBJMBLXLOGC-CXQJBGSLSA-N
XLogP2.42
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid 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

2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]acetic acid
CID 146218550
4-[(2S)-2-(prop-2-ynoxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218965
6-[4-[(5S)-5-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]piperidine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146324708
4-[(2S)-2-[[3-[4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 163378556
2-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]-N-[4-(pyridin-2-ylamino)cyclohexyl]acetamide
CID 146218227
6-[4-[3-[[1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]piperidin-2-yl]methoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146219152
2-[4-[3-[[1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146219458
4-[(2S)-2-[[(3S)-3-[4-(5-cyclopropylpyrimidin-2-yl)piperazin-1-yl]-3-hydroxypropoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175434789
4-pyrrolidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 153358084
5-(trifluoromethyl)-4-[2-[[3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]phenoxy]methyl]pyrrolidin-1-yl]-1H-pyridazin-6-one
CID 146218612
4-[2-[[3-[4-(5-methylpyrimidin-2-yl)piperazine-1-carbonyl]phenoxy]methyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146219236
4-[1-[(1-acetylpyrrolidin-2-yl)methoxy]-6-fluoro-1,3-dihydroisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175927058

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid (CID 146218336) is 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OC[C@@H]2CCCN2c2cn[nH]c(=O)c2C(F)(F)F)CC1.
What is the InChIKey of 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
The InChIKey is WACRBJMBLXLOGC-CXQJBGSLSA-N. The full InChI is InChI=1S/C17H22F3N3O4/c18-17(19,20)14-13(8-21-22-15(14)24)23-7-1-2-11(23)9-27-12-5-3-10(4-6-12)16(25)26/h8,10-12H,1-7,9H2,(H,22,24)(H,25,26)/t10?,11-,12?/m0/s1.
What are the key properties of 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid?
4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid has a molecular weight of 389.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]pyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146218336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).