2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine

C19H27N5O2S — CID 133341841

IUPAC2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
SMILESCn1cc(CC2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C2)cn1
InChIInChI=1S/C19H27N5O2S/c1-22-14-17(12-21-22)11-16-7-10-23(15-16)19-6-5-18(13-20-19)27(25,26)24-8-3-2-4-9-24/h5-6,12-14,16H,2-4,7-11,15H2,1H3
InChIKeyZHIPJDLHCLJUJJ-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.06
Rot. Bonds5

About 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine

2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine (PubChem CID 133341841) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
PubChem CID133341841
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
SMILESCn1cc(CC2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C2)cn1
InChIInChI=1S/C19H27N5O2S/c1-22-14-17(12-21-22)11-16-7-10-23(15-16)19-6-5-18(13-20-19)27(25,26)24-8-3-2-4-9-24/h5-6,12-14,16H,2-4,7-11,15H2,1H3
InChIKeyZHIPJDLHCLJUJJ-UHFFFAOYSA-N
XLogP2.06
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine (CID 133341841) is 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine is Cn1cc(CC2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)C2)cn1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is ZHIPJDLHCLJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-22-14-17(12-21-22)11-16-7-10-23(15-16)19-6-5-18(13-20-19)27(25,26)24-8-3-2-4-9-24/h5-6,12-14,16H,2-4,7-11,15H2,1H3.
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine?
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 389.53 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 133341841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).