3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide

C26H29N5O2 — CID 20961209

IUPAC3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(CC)c2=O)cc1
InChIInChI=1S/C26H29N5O2/c1-4-19-11-13-20(14-12-19)17-27-23(32)16-15-22-26(33)30(5-2)25-24(28-22)18(3)29-31(25)21-9-7-6-8-10-21/h6-14H,4-5,15-17H2,1-3H3,(H,27,32)
InChIKeyGULGJARLNGFKRA-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.72
Rot. Bonds8

About 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide

3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide (PubChem CID 20961209) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
PubChem CID20961209
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
SMILESCCc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(CC)c2=O)cc1
InChIInChI=1S/C26H29N5O2/c1-4-19-11-13-20(14-12-19)17-27-23(32)16-15-22-26(33)30(5-2)25-24(28-22)18(3)29-31(25)21-9-7-6-8-10-21/h6-14H,4-5,15-17H2,1-3H3,(H,27,32)
InChIKeyGULGJARLNGFKRA-UHFFFAOYSA-N
XLogP3.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346260
N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961213
N-[(2-ethoxyphenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961207
N-(2,6-dimethylphenyl)-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346232
3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 46346235
3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 20961125
N-benzyl-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961356
3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20961095
N-[(3-chlorophenyl)methyl]-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961304
N-(1,3-benzodioxol-5-ylmethyl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961047
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 20961306
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide?
The IUPAC name of 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide (CID 20961209) is 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide?
The canonical SMILES for 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide is CCc1ccc(CNC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(CC)c2=O)cc1.
What is the InChIKey of 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide?
The InChIKey is GULGJARLNGFKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-4-19-11-13-20(14-12-19)17-27-23(32)16-15-22-26(33)30(5-2)25-24(28-22)18(3)29-31(25)21-9-7-6-8-10-21/h6-14H,4-5,15-17H2,1-3H3,(H,27,32).
What are the key properties of 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide?
3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide is sourced from PubChem (CID 20961209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).