N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C24H22N4O3 — CID 23603896

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N4O3/c1-14-19(12-22(29)26-18-9-10-20-21(11-18)31-13-30-20)16(3)28-24(25-14)23(15(2)27-28)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,26,29)
InChIKeyGECZNEOEEMOYMI-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.23
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 23603896) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID23603896
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H22N4O3/c1-14-19(12-22(29)26-18-9-10-20-21(11-18)31-13-30-20)16(3)28-24(25-14)23(15(2)27-28)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,26,29)
InChIKeyGECZNEOEEMOYMI-UHFFFAOYSA-N
XLogP4.23
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603853
N-(1,3-benzodioxol-5-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 6620436
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862959
N-(pyridin-2-ylmethyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 23603845
2-[3-(4-fluorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)acetamide
CID 23604300
2-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)sulfanyl-N-(4-hydroxyphenyl)acetamide
CID 3264033
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 1080106
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 24610247

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 23603896) is N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is GECZNEOEEMOYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-19(12-22(29)26-18-9-10-20-21(11-18)31-13-30-20)16(3)28-24(25-14)23(15(2)27-28)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,26,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 23603896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).