1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone

C23H28F3N5O3 — CID 171838004

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2O)nnc1N[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)C2)C1
InChIInChI=1S/C23H28F3N5O3/c1-14-9-19(18-5-4-15(10-20(18)33)23(24,25)26)28-29-22(14)27-16-3-2-7-30(11-16)13-21(34)31-8-6-17(32)12-31/h4-5,9-10,16-17,32-33H,2-3,6-8,11-13H2,1H3,(H,27,29)/t16-,17-/m1/s1
InChIKeyYSUASDJRWFCESP-IAGOWNOFSA-N
MW479.50 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone (PubChem CID 171838004) has the molecular formula C23H28F3N5O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone
PubChem CID171838004
Molecular FormulaC23H28F3N5O3
Molecular Weight479.50 g/mol
Exact Mass479.21
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2O)nnc1N[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)C2)C1
InChIInChI=1S/C23H28F3N5O3/c1-14-9-19(18-5-4-15(10-20(18)33)23(24,25)26)28-29-22(14)27-16-3-2-7-30(11-16)13-21(34)31-8-6-17(32)12-31/h4-5,9-10,16-17,32-33H,2-3,6-8,11-13H2,1H3,(H,27,29)/t16-,17-/m1/s1
InChIKeyYSUASDJRWFCESP-IAGOWNOFSA-N
XLogP2.65
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-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

1-(3-hydroxyazetidin-1-yl)-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone
CID 171838068
3-methyl-2-[5-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284541
tert-butyl N-[7-[2-[(3R)-3-[[1-[2-hydroxy-4-(trifluoromethyl)phenyl]-5,7-dihydrofuro[3,4-d]pyridazin-4-yl]amino]piperidin-1-yl]acetyl]-7-azaspiro[3.5]nonan-2-yl]carbamate
CID 171837827
tert-butyl 4-[[2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 171838076
3-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoic acid
CID 171838220
3-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methyl-6-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-5-one;2,2,2-trifluoroacetic acid
CID 174227768
tert-butyl 3-[(3R)-3-[[4-(hydroxymethyl)-6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoate
CID 178140816
6-[[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]methyl]spiro[3.3]heptan-2-ol
CID 171837881
2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 171837858
3-[[(3S)-1-ethylpiperidin-3-yl]amino]-6-[2-hydroxy-6-methyl-4-(trifluoromethyl)phenyl]pyridazine-4-carbonitrile
CID 155284607
2-[4-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852412
2-[(3R)-3-[[(1E,3Z)-1,4-diamino-4-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-methylbuta-1,3-dienyl]amino]piperidin-1-yl]-1-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 175617833

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone (CID 171838004) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone is Cc1cc(-c2ccc(C(F)(F)F)cc2O)nnc1N[C@@H]1CCCN(CC(=O)N2CC[C@@H](O)C2)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is YSUASDJRWFCESP-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H28F3N5O3/c1-14-9-19(18-5-4-15(10-20(18)33)23(24,25)26)28-29-22(14)27-16-3-2-7-30(11-16)13-21(34)31-8-6-17(32)12-31/h4-5,9-10,16-17,32-33H,2-3,6-8,11-13H2,1H3,(H,27,29)/t16-,17-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 479.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 171838004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).