3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide

C24H25N9O3 — CID 168974547

IUPAC3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide
SMILESCCCc1nc(-c2cc(NC(=O)CCNc3nccc4ccc(-c5noc(C)n5)cc34)nn2C)no1
InChIInChI=1S/C24H25N9O3/c1-4-5-21-29-24(32-36-21)18-13-19(30-33(18)3)28-20(34)9-11-26-23-17-12-16(22-27-14(2)35-31-22)7-6-15(17)8-10-25-23/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,25,26)(H,28,30,34)
InChIKeyRLOCYYJVENNEFC-UHFFFAOYSA-N
MW487.52 g/mol
LogP3.77
Rot. Bonds9

About 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide

3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide (PubChem CID 168974547) has the molecular formula C24H25N9O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide
PubChem CID168974547
Molecular FormulaC24H25N9O3
Molecular Weight487.52 g/mol
Exact Mass487.21
IUPAC Name3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide
SMILESCCCc1nc(-c2cc(NC(=O)CCNc3nccc4ccc(-c5noc(C)n5)cc34)nn2C)no1
InChIInChI=1S/C24H25N9O3/c1-4-5-21-29-24(32-36-21)18-13-19(30-33(18)3)28-20(34)9-11-26-23-17-12-16(22-27-14(2)35-31-22)7-6-15(17)8-10-25-23/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,25,26)(H,28,30,34)
InChIKeyRLOCYYJVENNEFC-UHFFFAOYSA-N
XLogP3.77
TPSA149.68 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide with MolForge

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Related Compounds

2-hydroxy-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]prop-2-enamide
CID 174053152
ethyl 2-methyl-4-[3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanoylamino]imidazole-1-carboxylate
CID 168974254
N-[4-(2-fluoroethoxy)pyrazolo[1,5-a]pyrazin-2-yl]-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanamide
CID 171559924
3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-(1-methyl-5-pentylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 168974178
N-[4-fluoro-7-(3-fluoropropoxy)-1,3-benzothiazol-2-yl]-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanamide
CID 171560039
(2S)-2-hydroxy-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanoic acid
CID 171559970
tert-butyl 3-methyl-2-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]imidazo[4,5-b]pyridine-6-carboxylate
CID 170959403
ethyl 6-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylate
CID 170959389
6-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-5-oxo-1,6-naphthyridine-3-carboxylic acid
CID 174206356
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
ethyl 2-methyl-6-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylate
CID 170959495
propan-2-yl 2-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
CID 170959388

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide (CID 168974547) is 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide is CCCc1nc(-c2cc(NC(=O)CCNc3nccc4ccc(-c5noc(C)n5)cc34)nn2C)no1.
What is the InChIKey of 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide?
The InChIKey is RLOCYYJVENNEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O3/c1-4-5-21-29-24(32-36-21)18-13-19(30-33(18)3)28-20(34)9-11-26-23-17-12-16(22-27-14(2)35-31-22)7-6-15(17)8-10-25-23/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,25,26)(H,28,30,34).
What are the key properties of 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide?
3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide has a molecular weight of 487.52 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]-N-[1-methyl-5-(5-propyl-1,2,4-oxadiazol-3-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 168974547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).