6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine

C23H31N5O — CID 97415326

IUPAC6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccco4)CC3)cc21
InChIInChI=1S/C23H31N5O/c1-17(2)28-16-24-22-21(28)14-20(25-23(22)27-9-3-4-10-27)18-7-11-26(12-8-18)15-19-6-5-13-29-19/h5-6,13-14,16-18H,3-4,7-12,15H2,1-2H3
InChIKeyJFFMDHSYCMWXFT-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.59
Rot. Bonds5

About 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine

6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine (PubChem CID 97415326) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine
PubChem CID97415326
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccco4)CC3)cc21
InChIInChI=1S/C23H31N5O/c1-17(2)28-16-24-22-21(28)14-20(25-23(22)27-9-3-4-10-27)18-7-11-26(12-8-18)15-19-6-5-13-29-19/h5-6,13-14,16-18H,3-4,7-12,15H2,1-2H3
InChIKeyJFFMDHSYCMWXFT-UHFFFAOYSA-N
XLogP4.59
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine (CID 97415326) is 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccco4)CC3)cc21.
What is the InChIKey of 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is JFFMDHSYCMWXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17(2)28-16-24-22-21(28)14-20(25-23(22)27-9-3-4-10-27)18-7-11-26(12-8-18)15-19-6-5-13-29-19/h5-6,13-14,16-18H,3-4,7-12,15H2,1-2H3.
What are the key properties of 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine?
6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 393.54 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 97415326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).