[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C22H25N5O4 — CID 90559476

IUPAC[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(C)nn4)CC3)[nH]n2)c1
InChIInChI=1S/C22H25N5O4/c1-14-4-7-21(26-23-14)31-15-8-10-27(11-9-15)22(28)19-13-18(24-25-19)17-12-16(29-2)5-6-20(17)30-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,25)
InChIKeyKUFUGQBGCQMEGI-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.88
Rot. Bonds6

About [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 90559476) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID90559476
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(C)nn4)CC3)[nH]n2)c1
InChIInChI=1S/C22H25N5O4/c1-14-4-7-21(26-23-14)31-15-8-10-27(11-9-15)22(28)19-13-18(24-25-19)17-12-16(29-2)5-6-20(17)30-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,25)
InChIKeyKUFUGQBGCQMEGI-UHFFFAOYSA-N
XLogP2.88
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161428
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163157
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121023219
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249650

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 90559476) is [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(C)nn4)CC3)[nH]n2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is KUFUGQBGCQMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-4-7-21(26-23-14)31-15-8-10-27(11-9-15)22(28)19-13-18(24-25-19)17-12-16(29-2)5-6-20(17)30-3/h4-7,12-13,15H,8-11H2,1-3H3,(H,24,25).
What are the key properties of [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 90559476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).