[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone

C23H22F3N5O4 — CID 138674755

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H22F3N5O4/c1-33-19-12-18(22(32)31-10-8-14(9-11-31)17-6-7-21(27)30-29-17)28-13-20(19)34-15-2-4-16(5-3-15)35-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,30)
InChIKeyJKGMPLDOMCXRIO-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.17
Rot. Bonds6

About [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone (PubChem CID 138674755) has the molecular formula C23H22F3N5O4 and a molecular weight of 489.45 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
PubChem CID138674755
Molecular FormulaC23H22F3N5O4
Molecular Weight489.45 g/mol
Exact Mass489.16
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H22F3N5O4/c1-33-19-12-18(22(32)31-10-8-14(9-11-31)17-6-7-21(27)30-29-17)28-13-20(19)34-15-2-4-16(5-3-15)35-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,30)
InChIKeyJKGMPLDOMCXRIO-UHFFFAOYSA-N
XLogP4.17
TPSA112.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone with MolForge

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Related Compounds

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenyl)-2-pyridinyl]methanone
CID 139424753
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-ethyl-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;6-piperidin-4-ylpyridazin-3-amine;dihydrochloride
CID 165059205
[4-(6-amino-5-methoxypyridazin-3-yl)piperidin-1-yl]-[4-hydroxy-5-(4-methylphenoxy)-2-pyridinyl]methanone;yttrium
CID 176715571
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
CID 139424826
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 139466459
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
CID 139424842
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 139424769
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-chlorophenoxy)phenyl]methanone
CID 139416304
[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]piperidin-1-yl]methanone
CID 155208466
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155411279

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone (CID 138674755) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone is COc1cc(C(=O)N2CCC(c3ccc(N)nn3)CC2)ncc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
The InChIKey is JKGMPLDOMCXRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O4/c1-33-19-12-18(22(32)31-10-8-14(9-11-31)17-6-7-21(27)30-29-17)28-13-20(19)34-15-2-4-16(5-3-15)35-23(24,25)26/h2-7,12-14H,8-11H2,1H3,(H2,27,30).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone has a molecular weight of 489.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone is sourced from PubChem (CID 138674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).