3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine

C20H29N5 — CID 45174738

IUPAC3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1cc(CN2CCC(C3CCN(Cc4cccnc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H29N5/c1-16-11-20(23-22-16)15-25-10-6-19(14-25)18-4-8-24(9-5-18)13-17-3-2-7-21-12-17/h2-3,7,11-12,18-19H,4-6,8-10,13-15H2,1H3,(H,22,23)
InChIKeyGMZMENAODCWIKL-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.85
Rot. Bonds5

About 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine

3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 45174738) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
PubChem CID45174738
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCc1cc(CN2CCC(C3CCN(Cc4cccnc4)CC3)C2)n[nH]1
InChIInChI=1S/C20H29N5/c1-16-11-20(23-22-16)15-25-10-6-19(14-25)18-4-8-24(9-5-18)13-17-3-2-7-21-12-17/h2-3,7,11-12,18-19H,4-6,8-10,13-15H2,1H3,(H,22,23)
InChIKeyGMZMENAODCWIKL-UHFFFAOYSA-N
XLogP2.85
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine (CID 45174738) is 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine is Cc1cc(CN2CCC(C3CCN(Cc4cccnc4)CC3)C2)n[nH]1.
What is the InChIKey of 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is GMZMENAODCWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-11-20(23-22-16)15-25-10-6-19(14-25)18-4-8-24(9-5-18)13-17-3-2-7-21-12-17/h2-3,7,11-12,18-19H,4-6,8-10,13-15H2,1H3,(H,22,23).
What are the key properties of 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine?
3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 339.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 45174738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).