2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine

C24H21N5O2 — CID 91362840

IUPAC2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine
SMILESc1ccc2c(N3CCC(C(c4ncon4)c4cc5cnccc5o4)CC3)nccc2c1
InChIInChI=1S/C24H21N5O2/c1-2-4-19-16(3-1)5-10-26-24(19)29-11-7-17(8-12-29)22(23-27-15-30-28-23)21-13-18-14-25-9-6-20(18)31-21/h1-6,9-10,13-15,17,22H,7-8,11-12H2
InChIKeyKHBBCOZMPKZBHQ-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.81
Rot. Bonds4

About 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine

2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine (PubChem CID 91362840) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine
PubChem CID91362840
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine
SMILESc1ccc2c(N3CCC(C(c4ncon4)c4cc5cnccc5o4)CC3)nccc2c1
InChIInChI=1S/C24H21N5O2/c1-2-4-19-16(3-1)5-10-26-24(19)29-11-7-17(8-12-29)22(23-27-15-30-28-23)21-13-18-14-25-9-6-20(18)31-21/h1-6,9-10,13-15,17,22H,7-8,11-12H2
InChIKeyKHBBCOZMPKZBHQ-UHFFFAOYSA-N
XLogP4.81
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine with MolForge

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Related Compounds

4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24
CID 6539758
3-[3-(5-Pyridin-3-yl-furan-2-yl)-[1,2,4]oxadiazol-5-yl]quinuclidine
CID 11645473
US10745401, Example 20
CID 146343633
(S)-3-(1-(5-(benzofuran-2-yl)pyrimidin-2-yl)piperidin-3-yl)-1-ethyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 54584194
4-(2-Furyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine
CID 56681910
[3-(Furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-(3-methylphenyl)methanone
CID 145982102
1-[4-[[4-Amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 162664385
2-{5-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,2,3,4-tetrahydroisoquinoline
CID 53013350
5-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-YL]-N-[3-(furan-2-YL)propyl]-N-methylpyridin-2-amine
CID 53126790
3-(1-benzofuran-2-yl)-5-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 97054037
1-[4-[5-[4-(4-Acetylpiperazin-1-yl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 91170722
1-[5-(4-Fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)furo[2,3-d]pyrimidin-4-yl]piperidin-4-one
CID 91180647

Frequently Asked Questions

What is the IUPAC name of 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine?
The IUPAC name of 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine (CID 91362840) is 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine.
What is the SMILES notation for 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine?
The canonical SMILES for 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine is c1ccc2c(N3CCC(C(c4ncon4)c4cc5cnccc5o4)CC3)nccc2c1.
What is the InChIKey of 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine?
The InChIKey is KHBBCOZMPKZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-2-4-19-16(3-1)5-10-26-24(19)29-11-7-17(8-12-29)22(23-27-15-30-28-23)21-13-18-14-25-9-6-20(18)31-21/h1-6,9-10,13-15,17,22H,7-8,11-12H2.
What are the key properties of 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine?
2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine has a molecular weight of 411.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-isoquinolin-1-ylpiperidin-4-yl)-(1,2,4-oxadiazol-3-yl)methyl]furo[3,2-c]pyridine is sourced from PubChem (CID 91362840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).