N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide

C26H25N5O2 — CID 91892859

IUPACN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4c[nH]c5ccccc45)ccn3n2)cc1C
InChIInChI=1S/C26H25N5O2/c1-17-7-8-19(13-18(17)2)23-15-24-26(33)30(11-12-31(24)29-23)10-9-27-25(32)14-20-16-28-22-6-4-3-5-21(20)22/h3-8,11-13,15-16,28H,9-10,14H2,1-2H3,(H,27,32)
InChIKeyHSORXFLKXQXSOD-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.62
Rot. Bonds6

About N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 91892859) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID91892859
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4c[nH]c5ccccc45)ccn3n2)cc1C
InChIInChI=1S/C26H25N5O2/c1-17-7-8-19(13-18(17)2)23-15-24-26(33)30(11-12-31(24)29-23)10-9-27-25(32)14-20-16-28-22-6-4-3-5-21(20)22/h3-8,11-13,15-16,28H,9-10,14H2,1-2H3,(H,27,32)
InChIKeyHSORXFLKXQXSOD-UHFFFAOYSA-N
XLogP3.62
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
CID 91892847
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439
N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 121059174
(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
CID 99759367
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 95183200
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
2-(1H-indol-3-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121115997
2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892920

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide (CID 91892859) is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)Cc4c[nH]c5ccccc45)ccn3n2)cc1C.
What is the InChIKey of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is HSORXFLKXQXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-7-8-19(13-18(17)2)23-15-24-26(33)30(11-12-31(24)29-23)10-9-27-25(32)14-20-16-28-22-6-4-3-5-21(20)22/h3-8,11-13,15-16,28H,9-10,14H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 91892859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).