[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone

C24H23F3N4O2 — CID 139424769

IUPAC[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N1CCC(c2ccc(N)nn2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-33-21-14-17(15-2-5-18(6-3-15)24(25,26)27)4-7-19(21)23(32)31-12-10-16(11-13-31)20-8-9-22(28)30-29-20/h2-9,14,16H,10-13H2,1H3,(H2,28,30)
InChIKeySNTNUWNHGVAWGQ-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.77
Rot. Bonds4

About [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 139424769) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID139424769
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N1CCC(c2ccc(N)nn2)CC1
InChIInChI=1S/C24H23F3N4O2/c1-33-21-14-17(15-2-5-18(6-3-15)24(25,26)27)4-7-19(21)23(32)31-12-10-16(11-13-31)20-8-9-22(28)30-29-20/h2-9,14,16H,10-13H2,1H3,(H2,28,30)
InChIKeySNTNUWNHGVAWGQ-UHFFFAOYSA-N
XLogP4.77
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone with MolForge

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Related Compounds

[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-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
[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]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-2-pyridinyl]methanone
CID 139424826
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-4-methoxy-2-pyridinyl]methanone
CID 139424842
tert-butyl N-[(3R)-1-[2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl]pyrrolidin-3-yl]carbamate
CID 144504426
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-chlorophenoxy)phenyl]methanone
CID 139416304
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 97350041
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155411279
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
ethyl 1-[5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-4-carboxylate
CID 6615965
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 29260743

Frequently Asked Questions

What is the IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone (CID 139424769) is [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone is COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(=O)N1CCC(c2ccc(N)nn2)CC1.
What is the InChIKey of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is SNTNUWNHGVAWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-33-21-14-17(15-2-5-18(6-3-15)24(25,26)27)4-7-19(21)23(32)31-12-10-16(11-13-31)20-8-9-22(28)30-29-20/h2-9,14,16H,10-13H2,1H3,(H2,28,30).
What are the key properties of [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone?
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 456.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 139424769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).