2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine

C18H26N4 — CID 125020548

IUPAC2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc([C@@H]2CCCN2C(C)C)n1
InChIInChI=1S/C18H26N4/c1-4-12-22-18(10-11-19-22)16-8-5-7-15(20-16)17-9-6-13-21(17)14(2)3/h5,7-8,10-11,14,17H,4,6,9,12-13H2,1-3H3/t17-/m0/s1
InChIKeyYDOXMKLIDPCZCG-KRWDZBQOSA-N
MW298.43 g/mol
LogP3.90
Rot. Bonds5

About 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine

2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine (PubChem CID 125020548) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine
PubChem CID125020548
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine
SMILESCCCn1nccc1-c1cccc([C@@H]2CCCN2C(C)C)n1
InChIInChI=1S/C18H26N4/c1-4-12-22-18(10-11-19-22)16-8-5-7-15(20-16)17-9-6-13-21(17)14(2)3/h5,7-8,10-11,14,17H,4,6,9,12-13H2,1-3H3/t17-/m0/s1
InChIKeyYDOXMKLIDPCZCG-KRWDZBQOSA-N
XLogP3.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2-propylpyrazol-3-yl)pyridine
CID 110101835
2-(2-methylpyrazol-3-yl)-6-(1-methylpyrrolidin-2-yl)pyridine
CID 127246025
2-methoxy-1-[2-[6-(2-propan-2-ylpyrazol-3-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110101896
1-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]piperidin-4-ol
CID 95825122
4-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-2-(2-propylpyrazol-3-yl)pyridine
CID 124997758
2-[6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazin-2-yl]-1,3-oxazole
CID 125008814
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
N,N-dimethyl-2-[6-(2-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110101899
N-methyl-3-[6-(1-propan-2-ylpyrrolidin-2-yl)-2-pyridinyl]propanamide
CID 110269724

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The IUPAC name of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine (CID 125020548) is 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine is CCCn1nccc1-c1cccc([C@@H]2CCCN2C(C)C)n1.
What is the InChIKey of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine?
The InChIKey is YDOXMKLIDPCZCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4/c1-4-12-22-18(10-11-19-22)16-8-5-7-15(20-16)17-9-6-13-21(17)14(2)3/h5,7-8,10-11,14,17H,4,6,9,12-13H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine?
2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-6-(2-propylpyrazol-3-yl)pyridine is sourced from PubChem (CID 125020548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).