N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide

C25H22N6O2 — CID 171633555

IUPACN,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide
SMILESCc1nnc(-c2ccc3cncc(-c4ccc(-c5cnn(CC(=O)N(C)C)c5)cc4)c3c2)o1
InChIInChI=1S/C25H22N6O2/c1-16-28-29-25(33-16)19-8-9-20-11-26-13-23(22(20)10-19)18-6-4-17(5-7-18)21-12-27-31(14-21)15-24(32)30(2)3/h4-14H,15H2,1-3H3
InChIKeyMAMNQCAPNZBEEI-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.21
Rot. Bonds5

About N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide

N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide (PubChem CID 171633555) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide
PubChem CID171633555
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide
SMILESCc1nnc(-c2ccc3cncc(-c4ccc(-c5cnn(CC(=O)N(C)C)c5)cc4)c3c2)o1
InChIInChI=1S/C25H22N6O2/c1-16-28-29-25(33-16)19-8-9-20-11-26-13-23(22(20)10-19)18-6-4-17(5-7-18)21-12-27-31(14-21)15-24(32)30(2)3/h4-14H,15H2,1-3H3
InChIKeyMAMNQCAPNZBEEI-UHFFFAOYSA-N
XLogP4.21
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide (CID 171633555) is N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide is Cc1nnc(-c2ccc3cncc(-c4ccc(-c5cnn(CC(=O)N(C)C)c5)cc4)c3c2)o1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide?
The InChIKey is MAMNQCAPNZBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16-28-29-25(33-16)19-8-9-20-11-26-13-23(22(20)10-19)18-6-4-17(5-7-18)21-12-27-31(14-21)15-24(32)30(2)3/h4-14H,15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide?
N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-[6-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinolin-4-yl]phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 171633555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).