3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide

C21H21N5O3 — CID 90620660

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
SMILESCc1cc2ncc(CCCNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2n1
InChIInChI=1S/C21H21N5O3/c1-14-11-18-23-12-15(13-26(18)24-14)5-4-9-22-19(27)8-10-25-20(28)16-6-2-3-7-17(16)21(25)29/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,22,27)
InChIKeyJVCQPTFOMVUUEO-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.77
Rot. Bonds7

About 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide (PubChem CID 90620660) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
PubChem CID90620660
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
SMILESCc1cc2ncc(CCCNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2n1
InChIInChI=1S/C21H21N5O3/c1-14-11-18-23-12-15(13-26(18)24-14)5-4-9-22-19(27)8-10-25-20(28)16-6-2-3-7-17(16)21(25)29/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,22,27)
InChIKeyJVCQPTFOMVUUEO-UHFFFAOYSA-N
XLogP1.77
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]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

6-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]hexanamide
CID 90620619
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]propanamide
CID 110666502
2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90620527
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide (CID 90620660) is 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide is Cc1cc2ncc(CCCNC(=O)CCN3C(=O)c4ccccc4C3=O)cn2n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide?
The InChIKey is JVCQPTFOMVUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-11-18-23-12-15(13-26(18)24-14)5-4-9-22-19(27)8-10-25-20(28)16-6-2-3-7-17(16)21(25)29/h2-3,6-7,11-13H,4-5,8-10H2,1H3,(H,22,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide has a molecular weight of 391.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide is sourced from PubChem (CID 90620660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).