[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

C22H26N6O2 — CID 155981928

IUPAC[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)[nH]n1
InChIInChI=1S/C22H26N6O2/c1-15-12-23-22(24-13-15)27(2)16-7-6-10-28(14-16)21(29)19-11-18(25-26-19)17-8-4-5-9-20(17)30-3/h4-5,8-9,11-13,16H,6-7,10,14H2,1-3H3,(H,25,26)
InChIKeyDEHQHQOICKXWRU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.92
Rot. Bonds5

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 155981928) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID155981928
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)[nH]n1
InChIInChI=1S/C22H26N6O2/c1-15-12-23-22(24-13-15)27(2)16-7-6-10-28(14-16)21(29)19-11-18(25-26-19)17-8-4-5-9-20(17)30-3/h4-5,8-9,11-13,16H,6-7,10,14H2,1-3H3,(H,25,26)
InChIKeyDEHQHQOICKXWRU-UHFFFAOYSA-N
XLogP2.92
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
1-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 155981878
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95468822
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161428
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
4-cyclopentyl-5-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121115004
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249650
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590219
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone (CID 155981928) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCCC(N(C)c3ncc(C)cn3)C2)[nH]n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is DEHQHQOICKXWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-12-23-22(24-13-15)27(2)16-7-6-10-28(14-16)21(29)19-11-18(25-26-19)17-8-4-5-9-20(17)30-3/h4-5,8-9,11-13,16H,6-7,10,14H2,1-3H3,(H,25,26).
What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone?
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 155981928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).