N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide

C25H26N4O3 — CID 91892779

IUPACN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c(C)c1
InChIInChI=1S/C25H26N4O3/c1-16-5-7-20(17(2)13-16)22-15-23-25(31)28(11-12-29(23)27-22)10-9-26-24(30)21-8-6-19(32-4)14-18(21)3/h5-8,11-15H,9-10H2,1-4H3,(H,26,30)
InChIKeyGABQOFHQVVWZFM-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.53
Rot. Bonds6

About N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide

N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide (PubChem CID 91892779) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide
PubChem CID91892779
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c(C)c1
InChIInChI=1S/C25H26N4O3/c1-16-5-7-20(17(2)13-16)22-15-23-25(31)28(11-12-29(23)27-22)10-9-26-24(30)21-8-6-19(32-4)14-18(21)3/h5-8,11-15H,9-10H2,1-4H3,(H,26,30)
InChIKeyGABQOFHQVVWZFM-UHFFFAOYSA-N
XLogP3.53
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide (CID 91892779) is N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(C)cc4C)cc3c2=O)c(C)c1.
What is the InChIKey of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide?
The InChIKey is GABQOFHQVVWZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-5-7-20(17(2)13-16)22-15-23-25(31)28(11-12-29(23)27-22)10-9-26-24(30)21-8-6-19(32-4)14-18(21)3/h5-8,11-15H,9-10H2,1-4H3,(H,26,30).
What are the key properties of N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide?
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 91892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).