5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol

C17H20F2N4O2 — CID 178140660

IUPAC5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol
SMILESCc1cc(OC(F)F)cc(O)c1-c1ccc(NC2CCCNC2)nn1
InChIInChI=1S/C17H20F2N4O2/c1-10-7-12(25-17(18)19)8-14(24)16(10)13-4-5-15(23-22-13)21-11-3-2-6-20-9-11/h4-5,7-8,11,17,20,24H,2-3,6,9H2,1H3,(H,21,23)
InChIKeyKWMDAPKCEDREPA-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.92
Rot. Bonds5

About 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol

5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol (PubChem CID 178140660) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol
PubChem CID178140660
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol
SMILESCc1cc(OC(F)F)cc(O)c1-c1ccc(NC2CCCNC2)nn1
InChIInChI=1S/C17H20F2N4O2/c1-10-7-12(25-17(18)19)8-14(24)16(10)13-4-5-15(23-22-13)21-11-3-2-6-20-9-11/h4-5,7-8,11,17,20,24H,2-3,6,9H2,1H3,(H,21,23)
InChIKeyKWMDAPKCEDREPA-UHFFFAOYSA-N
XLogP2.92
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(3-hydroxycyclohexyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284560
3-methyl-2-[6-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284533
3-methyl-2-[6-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155319514
5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol
CID 171837978
2-[6-[[1-(2-hydroxypropyl)piperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284573
5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 167138214
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-piperidin-3-yl-6-propylpyridazin-3-amine
CID 116971005
formic acid;3-(methoxymethyl)-2-[4-methyl-6-(piperidin-3-ylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 178140760
3-methyl-2-[6-[[(2S)-pyrrolidin-2-yl]methylamino]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155284840
2-[6-[[(3S,6R)-6-(hydroxymethyl)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
CID 155284595
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol?
The IUPAC name of 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol (CID 178140660) is 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol.
What is the SMILES notation for 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol?
The canonical SMILES for 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol is Cc1cc(OC(F)F)cc(O)c1-c1ccc(NC2CCCNC2)nn1.
What is the InChIKey of 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol?
The InChIKey is KWMDAPKCEDREPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-10-7-12(25-17(18)19)8-14(24)16(10)13-4-5-15(23-22-13)21-11-3-2-6-20-9-11/h4-5,7-8,11,17,20,24H,2-3,6,9H2,1H3,(H,21,23).
What are the key properties of 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol?
5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol has a molecular weight of 350.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol is sourced from PubChem (CID 178140660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).