N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

C24H21ClN4O4 — CID 20944100

IUPACN-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c21
InChIInChI=1S/C24H21ClN4O4/c1-13-9-22(31)28(11-21(30)26-16-7-8-19-20(10-16)33-12-32-19)24-23(13)15(3)27-29(24)18-6-4-5-17(25)14(18)2/h4-10H,11-12H2,1-3H3,(H,26,30)
InChIKeyFLMJHBXJOLNWCV-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.13
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (PubChem CID 20944100) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
PubChem CID20944100
Molecular FormulaC24H21ClN4O4
Molecular Weight464.91 g/mol
Exact Mass464.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c21
InChIInChI=1S/C24H21ClN4O4/c1-13-9-22(31)28(11-21(30)26-16-7-8-19-20(10-16)33-12-32-19)24-23(13)15(3)27-29(24)18-6-4-5-17(25)14(18)2/h4-10H,11-12H2,1-3H3,(H,26,30)
InChIKeyFLMJHBXJOLNWCV-UHFFFAOYSA-N
XLogP4.13
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 20961270
1-(3-chloro-2-methylphenyl)-3,4-dimethyl-7-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[5,4-b]pyridin-6-one
CID 20951926
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
N-(1,3-benzodioxol-5-yl)-3-[7-ethyl-1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961396
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086674
N-(3-chloro-2-methylphenyl)-2-[4-(diethylaminomethyl)-1,3-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20956797
2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
CID 109008524
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
2-[6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53043189
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-6-oxo-1,4-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575764
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide (CID 20944100) is N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
The InChIKey is FLMJHBXJOLNWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-13-9-22(31)28(11-21(30)26-16-7-8-19-20(10-16)33-12-32-19)24-23(13)15(3)27-29(24)18-6-4-5-17(25)14(18)2/h4-10H,11-12H2,1-3H3,(H,26,30).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide has a molecular weight of 464.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-2-methylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 20944100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).