5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid

C20H24F2N4O5 — CID 178140487

IUPAC5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(F)F)cc2O)nnc(NC2CCC(C(=O)O)N(C)C2)c1CO
InChIInChI=1S/C20H24F2N4O5/c1-10-14(9-27)18(23-11-3-6-15(19(29)30)26(2)8-11)25-24-17(10)13-5-4-12(7-16(13)28)31-20(21)22/h4-5,7,11,15,20,27-28H,3,6,8-9H2,1-2H3,(H,23,25)(H,29,30)
InChIKeyLTDAQDGANNENFG-UHFFFAOYSA-N
MW438.43 g/mol
LogP2.21
Rot. Bonds7

About 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid

5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid (PubChem CID 178140487) has the molecular formula C20H24F2N4O5 and a molecular weight of 438.43 g/mol. Its IUPAC name is 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
PubChem CID178140487
Molecular FormulaC20H24F2N4O5
Molecular Weight438.43 g/mol
Exact Mass438.17
IUPAC Name5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
SMILESCc1c(-c2ccc(OC(F)F)cc2O)nnc(NC2CCC(C(=O)O)N(C)C2)c1CO
InChIInChI=1S/C20H24F2N4O5/c1-10-14(9-27)18(23-11-3-6-15(19(29)30)26(2)8-11)25-24-17(10)13-5-4-12(7-16(13)28)31-20(21)22/h4-5,7,11,15,20,27-28H,3,6,8-9H2,1-2H3,(H,23,25)(H,29,30)
InChIKeyLTDAQDGANNENFG-UHFFFAOYSA-N
XLogP2.21
TPSA128.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-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

(2S,5R)-5-[[4-cyano-6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
CID 178140540
(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
CID 178140406
tert-butyl 3-[(3R)-3-[[4-(hydroxymethyl)-6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoate
CID 178140816
3-[4-(difluoromethoxy)-2-hydroxyphenyl]-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-1,2,4-triazin-5-one;formic acid
CID 174217838
5-(difluoromethoxy)-2-[5-(hydroxymethyl)-4-(3-methoxypropyl)-6-(octan-3-ylamino)pyridazin-3-yl]phenol
CID 177046143
4-[(3R)-3-[[4-carbamoyl-6-(2-hydroxy-4-methoxyphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]butanoic acid
CID 178140809
methyl (2S,5R)-5-[[4-(aminomethyl)-6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidine-2-carboxylate
CID 178140782
5-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carbaldehyde
CID 178140572
3-[(3R)-3-[[6-(2-hydroxy-4-methoxyphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 178140377
6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-3-[[(3R)-piperidin-3-yl]amino]pyridazine-4-carboxylic acid
CID 178140838
(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120964902
6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325717

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid (CID 178140487) is 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid is Cc1c(-c2ccc(OC(F)F)cc2O)nnc(NC2CCC(C(=O)O)N(C)C2)c1CO.
What is the InChIKey of 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The InChIKey is LTDAQDGANNENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O5/c1-10-14(9-27)18(23-11-3-6-15(19(29)30)26(2)8-11)25-24-17(10)13-5-4-12(7-16(13)28)31-20(21)22/h4-5,7,11,15,20,27-28H,3,6,8-9H2,1-2H3,(H,23,25)(H,29,30).
What are the key properties of 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid has a molecular weight of 438.43 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 178140487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).