N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide

C17H14N6O2 — CID 92566290

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24)
InChIKeyXZXVHSUWNAQAFK-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.95
Rot. Bonds4

About N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 92566290) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID92566290
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24)
InChIKeyXZXVHSUWNAQAFK-UHFFFAOYSA-N
XLogP1.95
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

CARM1 inhibitor 2
CID 50937454
2-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-1,3-oxazole
CID 118660754
CID 127031964
CID 127031964
(S)-2-amino-N-(3-(3-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574307
[(2S)-1-[[3-[5-[5-(1H-indol-4-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-1-oxopropan-2-yl]azanium
CID 72199610
(2R)-N-[4-chloro-3-[5-(2-methylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 134152881
(S)-2-amino-N-(3-(5-(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzyl)propanamide
CID 44574242
2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
CID 154998731
US9828369, Example 9
CID 118928817
US9828369, Example 7
CID 130446691
2-[2-(methoxymethyl)-4-pyridinyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 172675054
3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 46956962

Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide (CID 92566290) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XZXVHSUWNAQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 92566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).