2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C21H20N6O — CID 4863042

IUPAC2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESCCn1cc(-c2ccnc3cc(C(=O)N4CCc5ccccc54)nn23)c(C)n1
InChIInChI=1S/C21H20N6O/c1-3-25-13-16(14(2)23-25)19-8-10-22-20-12-17(24-27(19)20)21(28)26-11-9-15-6-4-5-7-18(15)26/h4-8,10,12-13H,3,9,11H2,1-2H3
InChIKeyVZQKJYONWHIIRV-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.12
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 4863042) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID4863042
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESCCn1cc(-c2ccnc3cc(C(=O)N4CCc5ccccc54)nn23)c(C)n1
InChIInChI=1S/C21H20N6O/c1-3-25-13-16(14(2)23-25)19-8-10-22-20-12-17(24-27(19)20)21(28)26-11-9-15-6-4-5-7-18(15)26/h4-8,10,12-13H,3,9,11H2,1-2H3
InChIKeyVZQKJYONWHIIRV-UHFFFAOYSA-N
XLogP3.12
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone 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

2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 19615898
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)-4-pyridinyl]methanone
CID 109176460
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydroindole-6-carboxylic acid
CID 167400834
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109290400
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 4863042) is 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is CCn1cc(-c2ccnc3cc(C(=O)N4CCc5ccccc54)nn23)c(C)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is VZQKJYONWHIIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-25-13-16(14(2)23-25)19-8-10-22-20-12-17(24-27(19)20)21(28)26-11-9-15-6-4-5-7-18(15)26/h4-8,10,12-13H,3,9,11H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 4863042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).