[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone

C24H24F2N4O3 — CID 139416152

IUPAC[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3nnc(N)cc3C)CC2)c(F)cc1Oc1ccc(F)cc1
InChIInChI=1S/C24H24F2N4O3/c1-14-11-22(27)28-29-23(14)15-7-9-30(10-8-15)24(31)18-12-20(32-2)21(13-19(18)26)33-17-5-3-16(25)4-6-17/h3-6,11-13,15H,7-10H2,1-2H3,(H2,27,28)
InChIKeySSCVEPMRPVWQBN-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.47
Rot. Bonds5

About [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone

[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone (PubChem CID 139416152) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone.

Molecular Properties

Compound Name[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone
PubChem CID139416152
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone
SMILESCOc1cc(C(=O)N2CCC(c3nnc(N)cc3C)CC2)c(F)cc1Oc1ccc(F)cc1
InChIInChI=1S/C24H24F2N4O3/c1-14-11-22(27)28-29-23(14)15-7-9-30(10-8-15)24(31)18-12-20(32-2)21(13-19(18)26)33-17-5-3-16(25)4-6-17/h3-6,11-13,15H,7-10H2,1-2H3,(H2,27,28)
InChIKeySSCVEPMRPVWQBN-UHFFFAOYSA-N
XLogP4.47
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methanone
CID 155208495
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185
[5-(4-fluorophenoxy)-4-methoxy-2-pyridinyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265048
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-(4-methoxyphenoxy)-2-pyridinyl]methanone
CID 138674698
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 171685696
[(2S,4S)-4-(6-amino-4-methylpyridazin-3-yl)-2-methylpiperidin-1-yl]-[4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]-2-pyridinyl]methanone;4-methoxy-5-[(6-methoxy-3-pyridinyl)oxy]pyridine-2-carboxylic acid;5-methyl-6-[(2S,4S)-2-methylpiperidin-4-yl]pyridazin-3-amine
CID 165059166
[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-methoxy-5-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]methanone
CID 138674755
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119635399
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119622033
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822817
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938814

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone?
The IUPAC name of [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone (CID 139416152) is [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone.
What is the SMILES notation for [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone?
The canonical SMILES for [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone is COc1cc(C(=O)N2CCC(c3nnc(N)cc3C)CC2)c(F)cc1Oc1ccc(F)cc1.
What is the InChIKey of [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone?
The InChIKey is SSCVEPMRPVWQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-14-11-22(27)28-29-23(14)15-7-9-30(10-8-15)24(31)18-12-20(32-2)21(13-19(18)26)33-17-5-3-16(25)4-6-17/h3-6,11-13,15H,7-10H2,1-2H3,(H2,27,28).
What are the key properties of [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone?
[4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone has a molecular weight of 454.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methylpyridazin-3-yl)piperidin-1-yl]-[2-fluoro-4-(4-fluorophenoxy)-5-methoxyphenyl]methanone is sourced from PubChem (CID 139416152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).