4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C26H25N5O2 — CID 45270788

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(28-22-16-21(22)17-6-2-1-3-7-17)31-14-11-19(12-15-31)25-29-24(30-33-25)23-20-9-5-4-8-18(20)10-13-27-23/h1-10,13,19,21-22H,11-12,14-16H2,(H,28,32)
InChIKeyHRCSHGYOQCEMTF-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.73
Rot. Bonds4

About 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 45270788) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID45270788
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C26H25N5O2/c32-26(28-22-16-21(22)17-6-2-1-3-7-17)31-14-11-19(12-15-31)25-29-24(30-33-25)23-20-9-5-4-8-18(20)10-13-27-23/h1-10,13,19,21-22H,11-12,14-16H2,(H,28,32)
InChIKeyHRCSHGYOQCEMTF-UHFFFAOYSA-N
XLogP4.73
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
(S)-N-(1-(5-(isoquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44157819
N-(2-phenylcyclopropyl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44232522
4-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-N-(4-(trifluoromethyl)phenyl)piperidine-1-carboxamide
CID 44236320
N-(2-phenylcyclopropyl)-4-(3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45271618
N-(2-phenylcyclopropyl)-4-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 45272510
(R)-3-(1-(3-fluoro-5-(3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)pyridin-2-yl)ethyl)-1-hydroxy-1-methylurea
CID 46230836
N-cyclohexyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 56668936
7-(Cyclopropanecarboxamido)-3-(5-fluoro-2-methylphenyl)-1-methyl-2,6-naphthyridine 2-oxide
CID 57411677
3-(5-Fluoro-2-methylphenyl)-7-(cyclopropanecarboxamido)-2,6-naphthyridine 2-oxide
CID 67974365
N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71128068
1-{[3-(Diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-[(3-methylpyridin-2-yl)methyl]piperazine
CID 16190487

Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 45270788) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is HRCSHGYOQCEMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c32-26(28-22-16-21(22)17-6-2-1-3-7-17)31-14-11-19(12-15-31)25-29-24(30-33-25)23-20-9-5-4-8-18(20)10-13-27-23/h1-10,13,19,21-22H,11-12,14-16H2,(H,28,32).
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 45270788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).