N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

C26H28N4O5 — CID 53332402

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(OC)cc4OC)ccn3n2)cc1
InChIInChI=1S/C26H28N4O5/c1-4-35-20-8-5-18(6-9-20)22-16-23-26(32)29(13-14-30(23)28-22)12-11-25(31)27-17-19-7-10-21(33-2)15-24(19)34-3/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,27,31)
InChIKeyYPSNJCZZGWGXNW-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.29
Rot. Bonds10

About N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332402) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
PubChem CID53332402
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(OC)cc4OC)ccn3n2)cc1
InChIInChI=1S/C26H28N4O5/c1-4-35-20-8-5-18(6-9-20)22-16-23-26(32)29(13-14-30(23)28-22)12-11-25(31)27-17-19-7-10-21(33-2)15-24(19)34-3/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,27,31)
InChIKeyYPSNJCZZGWGXNW-UHFFFAOYSA-N
XLogP3.29
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332434
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
CID 91892743
3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95183228
2-(4-ethoxyphenyl)-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332928
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 95183200
N-benzyl-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332287
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
N-(2,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334299
N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 50795645

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332402) is N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is CCOc1ccc(-c2cc3c(=O)n(CCC(=O)NCc4ccc(OC)cc4OC)ccn3n2)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The InChIKey is YPSNJCZZGWGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-4-35-20-8-5-18(6-9-20)22-16-23-26(32)29(13-14-30(23)28-22)12-11-25(31)27-17-19-7-10-21(33-2)15-24(19)34-3/h5-10,13-16H,4,11-12,17H2,1-3H3,(H,27,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 476.53 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).