N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C24H24N4O4 — CID 46076271

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C24H24N4O4/c1-15-4-2-3-5-17(15)11-22(29)28-9-8-19-18(13-28)23(27-26-19)24(30)25-12-16-6-7-20-21(10-16)32-14-31-20/h2-7,10H,8-9,11-14H2,1H3,(H,25,30)(H,26,27)
InChIKeyATCVNEJQLFQAGC-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.50
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46076271) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46076271
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C24H24N4O4/c1-15-4-2-3-5-17(15)11-22(29)28-9-8-19-18(13-28)23(27-26-19)24(30)25-12-16-6-7-20-21(10-16)32-14-31-20/h2-7,10H,8-9,11-14H2,1H3,(H,25,30)(H,26,27)
InChIKeyATCVNEJQLFQAGC-UHFFFAOYSA-N
XLogP2.50
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874683
5-[2-(4-methoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075174
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
5-[2-(2,5-dimethoxyphenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076105
5-[2-(2-nitrophenyl)acetyl]-N-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874593
5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066603
5-[2-(3,4-dichlorophenyl)acetyl]-N-(2-phenylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079356
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-[(E)-3-phenylprop-2-enoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066625
5-(2-fluorobenzoyl)-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873589
N-cyclopropyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874574
N-[2-(4-methoxyphenyl)ethyl]-5-[2-(4-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079387

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46076271) is N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccccc1CC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)OCO4)c2C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is ATCVNEJQLFQAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-15-4-2-3-5-17(15)11-22(29)28-9-8-19-18(13-28)23(27-26-19)24(30)25-12-16-6-7-20-21(10-16)32-14-31-20/h2-7,10H,8-9,11-14H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(2-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46076271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).