2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol

C20H26F3N5O2 — CID 170259546

IUPAC2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1c(NC2CCCN(C(C)CO)C2)nnc(-c2ncc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C20H26F3N5O2/c1-11(10-29)28-6-4-5-15(9-28)25-19-13(3)12(2)17(26-27-19)18-16(30)7-14(8-24-18)20(21,22)23/h7-8,11,15,29-30H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKeyAGUYJZMNWQPJCD-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.14
Rot. Bonds5

About 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol

2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 170259546) has the molecular formula C20H26F3N5O2 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
PubChem CID170259546
Molecular FormulaC20H26F3N5O2
Molecular Weight425.46 g/mol
Exact Mass425.20
IUPAC Name2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
SMILESCc1c(NC2CCCN(C(C)CO)C2)nnc(-c2ncc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C20H26F3N5O2/c1-11(10-29)28-6-4-5-15(9-28)25-19-13(3)12(2)17(26-27-19)18-16(30)7-14(8-24-18)20(21,22)23/h7-8,11,15,29-30H,4-6,9-10H2,1-3H3,(H,25,27)
InChIKeyAGUYJZMNWQPJCD-UHFFFAOYSA-N
XLogP3.14
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl]-5-(trifluoromethyl)pyridin-3-ol
CID 170259221
2-[4-[[(3R)-1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]furo[2,3-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 170260047
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
CID 170259554
N-[8-[[(3R)-1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-5-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyridazin-2-yl]-2-piperidin-1-ylacetamide
CID 170259914
2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 170259568
2-[3-[[5-[3-hydroxy-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170259319
2-[(3R)-3-[[1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]pyrrolo[1,2-d][1,2,4]triazin-4-yl]amino]piperidin-1-yl]propan-1-ol
CID 176769485
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693
2-[1-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171852750
2-[5-(hydroxymethyl)-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 170764620
3-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]-5,7-dihydrofuro[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 167137603
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol (CID 170259546) is 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol is Cc1c(NC2CCCN(C(C)CO)C2)nnc(-c2ncc(C(F)(F)F)cc2O)c1C.
What is the InChIKey of 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is AGUYJZMNWQPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O2/c1-11(10-29)28-6-4-5-15(9-28)25-19-13(3)12(2)17(26-27-19)18-16(30)7-14(8-24-18)20(21,22)23/h7-8,11,15,29-30H,4-6,9-10H2,1-3H3,(H,25,27).
What are the key properties of 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol?
2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 425.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 170259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).