N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

C19H21N5O4 — CID 16882057

IUPACN-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C19H21N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(10-20-17)7-6-16(25)22-12-4-5-14-15(8-12)28-11-27-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyZFTORXULNKHFJE-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.11
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (PubChem CID 16882057) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
PubChem CID16882057
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
SMILESCC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCO4)cnc21
InChIInChI=1S/C19H21N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(10-20-17)7-6-16(25)22-12-4-5-14-15(8-12)28-11-27-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,25)
InChIKeyZFTORXULNKHFJE-UHFFFAOYSA-N
XLogP2.11
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-1,3-benzodioxol-5-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251504
N-(3-Ethoxy-propyl)-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 3227795
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide
CID 3241462
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 7118725
N-tert-Butyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433697
N-(1,3-benzodioxol-5-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 1433693
ethyl 4-(1,3-benzodioxol-5-ylamino)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine-5-carboxylate
CID 662230
1-[4-(Cyanomethyl)-1-(3,4-dimethoxyphenyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 71537065
N-1,3-benzodioxol-5-yl-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 978143
N-(3,4-dimethoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133778
N-(3,4-dimethoxyphenyl)-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135831471

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide (CID 16882057) is N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is CC(C)(C)n1ncc2c(=O)n(CCC(=O)Nc3ccc4c(c3)OCO4)cnc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
The InChIKey is ZFTORXULNKHFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(10-20-17)7-6-16(25)22-12-4-5-14-15(8-12)28-11-27-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide has a molecular weight of 383.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide is sourced from PubChem (CID 16882057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).