N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide

C21H28N6O2 — CID 20961040

IUPACN-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3nc(CCC(=O)NCCN(C)C)c(=O)n(C)c32)cc1
InChIInChI=1S/C21H28N6O2/c1-14-6-8-16(9-7-14)27-20-19(15(2)24-27)23-17(21(29)26(20)5)10-11-18(28)22-12-13-25(3)4/h6-9H,10-13H2,1-5H3,(H,22,28)
InChIKeyXQYFCAWWBNSAAH-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.35
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide (PubChem CID 20961040) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
PubChem CID20961040
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
SMILESCc1ccc(-n2nc(C)c3nc(CCC(=O)NCCN(C)C)c(=O)n(C)c32)cc1
InChIInChI=1S/C21H28N6O2/c1-14-6-8-16(9-7-14)27-20-19(15(2)24-27)23-17(21(29)26(20)5)10-11-18(28)22-12-13-25(3)4/h6-9H,10-13H2,1-5H3,(H,22,28)
InChIKeyXQYFCAWWBNSAAH-UHFFFAOYSA-N
XLogP1.35
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961052
N-(1,3-benzodioxol-5-ylmethyl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961047
N-(1,3-benzodioxol-5-yl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961058
3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20961095
3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 20961125
N-(3-chloro-4-fluorophenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961129
N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961135
3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(4-ethylphenyl)methyl]propanamide
CID 20961209
N-[(2-ethoxyphenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961207
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-[(4-bromophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961213
N-[(4-chlorophenyl)methyl]-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346260

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide (CID 20961040) is N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide is Cc1ccc(-n2nc(C)c3nc(CCC(=O)NCCN(C)C)c(=O)n(C)c32)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide?
The InChIKey is XQYFCAWWBNSAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-6-8-16(9-7-14)27-20-19(15(2)24-27)23-17(21(29)26(20)5)10-11-18(28)22-12-13-25(3)4/h6-9H,10-13H2,1-5H3,(H,22,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide has a molecular weight of 396.50 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide is sourced from PubChem (CID 20961040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).