N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide

C24H21ClFN5O2 — CID 172531863

IUPACN-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide
SMILESCc1nnc(-c2ccc(C(=O)N(c3nccc4cc(Cl)ccc34)C3CCCNC3)c(F)c2)o1
InChIInChI=1S/C24H21ClFN5O2/c1-14-29-30-23(33-14)16-4-6-20(21(26)12-16)24(32)31(18-3-2-9-27-13-18)22-19-7-5-17(25)11-15(19)8-10-28-22/h4-8,10-12,18,27H,2-3,9,13H2,1H3
InChIKeyMOSXSDMNBBXPDT-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.78
Rot. Bonds4

About N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide

N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide (PubChem CID 172531863) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide
PubChem CID172531863
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC NameN-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide
SMILESCc1nnc(-c2ccc(C(=O)N(c3nccc4cc(Cl)ccc34)C3CCCNC3)c(F)c2)o1
InChIInChI=1S/C24H21ClFN5O2/c1-14-29-30-23(33-14)16-4-6-20(21(26)12-16)24(32)31(18-3-2-9-27-13-18)22-19-7-5-17(25)11-15(19)8-10-28-22/h4-8,10-12,18,27H,2-3,9,13H2,1H3
InChIKeyMOSXSDMNBBXPDT-UHFFFAOYSA-N
XLogP4.78
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide (CID 172531863) is N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide is Cc1nnc(-c2ccc(C(=O)N(c3nccc4cc(Cl)ccc34)C3CCCNC3)c(F)c2)o1.
What is the InChIKey of N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide?
The InChIKey is MOSXSDMNBBXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-14-29-30-23(33-14)16-4-6-20(21(26)12-16)24(32)31(18-3-2-9-27-13-18)22-19-7-5-17(25)11-15(19)8-10-28-22/h4-8,10-12,18,27H,2-3,9,13H2,1H3.
What are the key properties of N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide?
N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide has a molecular weight of 465.92 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroisoquinolin-1-yl)-2-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 172531863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).