2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone

C17H23N5O2 — CID 56746408

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C2(O)CCN(C(=O)Cn3nc(C)cc3N)CC2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-3-4-14(19-10-12)17(24)5-7-21(8-6-17)16(23)11-22-15(18)9-13(2)20-22/h3-4,9-10,24H,5-8,11,18H2,1-2H3
InChIKeyDJCUICZFILHAOT-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.99
Rot. Bonds3

About 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone

2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 56746408) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
PubChem CID56746408
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
SMILESCc1ccc(C2(O)CCN(C(=O)Cn3nc(C)cc3N)CC2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-3-4-14(19-10-12)17(24)5-7-21(8-6-17)16(23)11-22-15(18)9-13(2)20-22/h3-4,9-10,24H,5-8,11,18H2,1-2H3
InChIKeyDJCUICZFILHAOT-UHFFFAOYSA-N
XLogP0.99
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(2-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)(methyl)amino)ethyl)-3-(1H-pyrazol-1-yl)pyrazine-2-carboxamide
CID 121416962
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 50966081
N-(2-hydroxy-2-propylpentyl)-N'-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]oxamide
CID 72100832
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-[[(1-methylpyrazol-3-yl)amino]methyl]pyridin-3-yl]phenyl]propan-2-yl]acetamide
CID 89790966
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-[[(1-methylpyrazol-3-yl)amino]methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 89790968
2,2-difluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-[4-[6-[[(1-propan-2-ylpyrazol-3-yl)amino]methyl]pyridin-3-yl]phenyl]propan-2-yl]acetamide
CID 89791159
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-[[(1-propan-2-ylpyrazol-3-yl)amino]methyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 89791161
[3-[5-Fluoro-6-(2-hydroxypropan-2-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 145228924
4-(5-methylpyridin-2-yl)-1-[(5-methyl-1-pyridin-2-yl-1H-pyrazol-4-yl)carbonyl]piperidin-4-ol
CID 56749620
1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 118787751
2-[4-(3,4-difluorophenyl)pyrazol-1-yl]-N-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]acetamide
CID 172370263
2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-hydroxy-4-(3-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 16668208

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone (CID 56746408) is 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone is Cc1ccc(C2(O)CCN(C(=O)Cn3nc(C)cc3N)CC2)nc1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is DJCUICZFILHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-3-4-14(19-10-12)17(24)5-7-21(8-6-17)16(23)11-22-15(18)9-13(2)20-22/h3-4,9-10,24H,5-8,11,18H2,1-2H3.
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone?
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56746408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).