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

C23H21FN8O3 — CID 171559924

IUPACN-[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
SMILESCc1nc(-c2ccc3ccnc(NCCC(=O)Nc4cc5c(OCCF)nccn5n4)c3c2)no1
InChIInChI=1S/C23H21FN8O3/c1-14-28-21(31-35-14)16-3-2-15-4-7-25-22(17(15)12-16)26-8-5-20(33)29-19-13-18-23(34-11-6-24)27-9-10-32(18)30-19/h2-4,7,9-10,12-13H,5-6,8,11H2,1H3,(H,25,26)(H,29,30,33)
InChIKeyHEJNOZSLDSAFGM-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.42
Rot. Bonds9

About 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

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 (PubChem CID 171559924) has the molecular formula C23H21FN8O3 and a molecular weight of 476.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID171559924
Molecular FormulaC23H21FN8O3
Molecular Weight476.47 g/mol
Exact Mass476.17
IUPAC NameN-[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
SMILESCc1nc(-c2ccc3ccnc(NCCC(=O)Nc4cc5c(OCCF)nccn5n4)c3c2)no1
InChIInChI=1S/C23H21FN8O3/c1-14-28-21(31-35-14)16-3-2-15-4-7-25-22(17(15)12-16)26-8-5-20(33)29-19-13-18-23(34-11-6-24)27-9-10-32(18)30-19/h2-4,7,9-10,12-13H,5-6,8,11H2,1H3,(H,25,26)(H,29,30,33)
InChIKeyHEJNOZSLDSAFGM-UHFFFAOYSA-N
XLogP3.42
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-4-[3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]propanoylamino]imidazole-1-carboxylate
CID 168974254
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
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
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
methyl 3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]cyclobutane-1-carboxylate
CID 168974236
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
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
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
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
N-(5-cyclopropyl-1,2-oxazol-3-yl)-3-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]prop-2-enamide
CID 168974662

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(-c2ccc3ccnc(NCCC(=O)Nc4cc5c(OCCF)nccn5n4)c3c2)no1.
What is the InChIKey of 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?
The InChIKey is HEJNOZSLDSAFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O3/c1-14-28-21(31-35-14)16-3-2-15-4-7-25-22(17(15)12-16)26-8-5-20(33)29-19-13-18-23(34-11-6-24)27-9-10-32(18)30-19/h2-4,7,9-10,12-13H,5-6,8,11H2,1H3,(H,25,26)(H,29,30,33).
What are the key properties of 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?
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 has a molecular weight of 476.47 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171559924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).