N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide

C23H22ClN5O3 — CID 20961135

IUPACN-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1Cl
InChIInChI=1S/C23H22ClN5O3/c1-14-21-22(29(27-14)16-7-5-4-6-8-16)28(2)23(31)18(26-21)10-12-20(30)25-15-9-11-19(32-3)17(24)13-15/h4-9,11,13H,10,12H2,1-3H3,(H,25,30)
InChIKeyWSIZRNRIMXKCFH-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.66
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide (PubChem CID 20961135) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
PubChem CID20961135
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1Cl
InChIInChI=1S/C23H22ClN5O3/c1-14-21-22(29(27-14)16-7-5-4-6-8-16)28(2)23(31)18(26-21)10-12-20(30)25-15-9-11-19(32-3)17(24)13-15/h4-9,11,13H,10,12H2,1-3H3,(H,25,30)
InChIKeyWSIZRNRIMXKCFH-UHFFFAOYSA-N
XLogP3.66
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961129
3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 20961125
N-(1,3-benzodioxol-5-yl)-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961058
N-(3-chloro-4-methoxyphenyl)-3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 23602953
N-(3,4,5-trimethoxyphenyl)-3-(3,4,7-trimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961514
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(2,6-dimethylphenyl)-3-(7-ethyl-3-methyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 46346232
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3612931
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-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961040
N-[2-(diethylamino)ethyl]-3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[4,5-b]pyrazin-5-yl]propanamide
CID 20961052

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide (CID 20961135) is N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide is COc1ccc(NC(=O)CCc2nc3c(C)nn(-c4ccccc4)c3n(C)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
The InChIKey is WSIZRNRIMXKCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-14-21-22(29(27-14)16-7-5-4-6-8-16)28(2)23(31)18(26-21)10-12-20(30)25-15-9-11-19(32-3)17(24)13-15/h4-9,11,13H,10,12H2,1-3H3,(H,25,30).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide has a molecular weight of 451.91 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide is sourced from PubChem (CID 20961135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).