[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol

C19H23F3N4O — CID 167137946

IUPAC[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1CO
InChIInChI=1S/C19H23F3N4O/c1-12-8-17(23-15-4-3-7-26(2)10-15)24-25-18(12)16-6-5-14(19(20,21)22)9-13(16)11-27/h5-6,8-9,15,27H,3-4,7,10-11H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyWQGCHHGIBQJSRU-OAHLLOKOSA-N
MW380.41 g/mol
LogP3.47
Rot. Bonds4

About [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol

[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol (PubChem CID 167137946) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol
PubChem CID167137946
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1CO
InChIInChI=1S/C19H23F3N4O/c1-12-8-17(23-15-4-3-7-26(2)10-15)24-25-18(12)16-6-5-14(19(20,21)22)9-13(16)11-27/h5-6,8-9,15,27H,3-4,7,10-11H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyWQGCHHGIBQJSRU-OAHLLOKOSA-N
XLogP3.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol (CID 167137946) is [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol is Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1CO.
What is the InChIKey of [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is WQGCHHGIBQJSRU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-12-8-17(23-15-4-3-7-26(2)10-15)24-25-18(12)16-6-5-14(19(20,21)22)9-13(16)11-27/h5-6,8-9,15,27H,3-4,7,10-11H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol?
[2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 380.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 167137946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).