4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine

C20H22N8O — CID 110214005

IUPAC4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine
SMILESc1coc(Cn2nnnc2CN2CCCC(c3[nH]ncc3-c3ccncc3)C2)c1
InChIInChI=1S/C20H22N8O/c1-3-16(20-18(11-22-24-20)15-5-7-21-8-6-15)12-27(9-1)14-19-23-25-26-28(19)13-17-4-2-10-29-17/h2,4-8,10-11,16H,1,3,9,12-14H2,(H,22,24)
InChIKeyKDTIDQCEMAXXHU-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.48
Rot. Bonds6

About 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine

4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine (PubChem CID 110214005) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine
PubChem CID110214005
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine
SMILESc1coc(Cn2nnnc2CN2CCCC(c3[nH]ncc3-c3ccncc3)C2)c1
InChIInChI=1S/C20H22N8O/c1-3-16(20-18(11-22-24-20)15-5-7-21-8-6-15)12-27(9-1)14-19-23-25-26-28(19)13-17-4-2-10-29-17/h2,4-8,10-11,16H,1,3,9,12-14H2,(H,22,24)
InChIKeyKDTIDQCEMAXXHU-UHFFFAOYSA-N
XLogP2.48
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine (CID 110214005) is 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine is c1coc(Cn2nnnc2CN2CCCC(c3[nH]ncc3-c3ccncc3)C2)c1.
What is the InChIKey of 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is KDTIDQCEMAXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-3-16(20-18(11-22-24-20)15-5-7-21-8-6-15)12-27(9-1)14-19-23-25-26-28(19)13-17-4-2-10-29-17/h2,4-8,10-11,16H,1,3,9,12-14H2,(H,22,24).
What are the key properties of 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine?
4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 390.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 110214005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).