1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone

C19H26N4O — CID 124991548

IUPAC1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1
InChIInChI=1S/C19H26N4O/c1-14(2)23-19(7-9-21-23)18-12-16(6-8-20-18)11-17-5-4-10-22(13-17)15(3)24/h6-9,12,14,17H,4-5,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyPKDSRRFMGXDRAV-KRWDZBQOSA-N
MW326.44 g/mol
LogP3.33
Rot. Bonds4

About 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 124991548) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID124991548
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1
InChIInChI=1S/C19H26N4O/c1-14(2)23-19(7-9-21-23)18-12-16(6-8-20-18)11-17-5-4-10-22(13-17)15(3)24/h6-9,12,14,17H,4-5,10-11,13H2,1-3H3/t17-/m0/s1
InChIKeyPKDSRRFMGXDRAV-KRWDZBQOSA-N
XLogP3.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 110101819
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634
1-[(3S)-3-[[6-(2-propylpyrazol-3-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958306
1-[(3R)-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124971110
1-[3-[2-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110101232
2-(2-methylpyrazol-3-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine
CID 110102016
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 124991548) is 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C(C)C)c2)C1.
What is the InChIKey of 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is PKDSRRFMGXDRAV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)23-19(7-9-21-23)18-12-16(6-8-20-18)11-17-5-4-10-22(13-17)15(3)24/h6-9,12,14,17H,4-5,10-11,13H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 326.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124991548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).