2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine

C18H26N4 — CID 124964634

IUPAC2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
SMILESCC(C)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C18H26N4/c1-14(2)22-10-4-5-16(13-22)11-15-6-8-19-17(12-15)18-7-9-20-21(18)3/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyHYSKERPBETZDCL-INIZCTEOSA-N
MW298.43 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine

2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine (PubChem CID 124964634) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
PubChem CID124964634
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
SMILESCC(C)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C18H26N4/c1-14(2)22-10-4-5-16(13-22)11-15-6-8-19-17(12-15)18-7-9-20-21(18)3/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyHYSKERPBETZDCL-INIZCTEOSA-N
XLogP3.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrazol-3-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine
CID 110102016
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
CID 124992304
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
CID 125025306
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
2-(2-methylpyrazol-3-yl)-5-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazine
CID 110101426

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine (CID 124964634) is 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine is CC(C)N1CCC[C@@H](Cc2ccnc(-c3ccnn3C)c2)C1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine?
The InChIKey is HYSKERPBETZDCL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)22-10-4-5-16(13-22)11-15-6-8-19-17(12-15)18-7-9-20-21(18)3/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine?
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine is sourced from PubChem (CID 124964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).