N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H21N5O — CID 24641440

IUPACN-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCCn3ccc4ccccc43)c(C)n2n1
InChIInChI=1S/C20H21N5O/c1-14-12-19-22-13-17(15(2)25(19)23-14)20(26)21-9-5-10-24-11-8-16-6-3-4-7-18(16)24/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,21,26)
InChIKeyXULBTPBAUGYSLV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds5

About N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 24641440) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID24641440
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCCCn3ccc4ccccc43)c(C)n2n1
InChIInChI=1S/C20H21N5O/c1-14-12-19-22-13-17(15(2)25(19)23-14)20(26)21-9-5-10-24-11-8-16-6-3-4-7-18(16)24/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,21,26)
InChIKeyXULBTPBAUGYSLV-UHFFFAOYSA-N
XLogP3.12
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 166207086
N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
CID 91951649
1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
CID 55581931
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
6-(dimethylamino)-N-(3-indol-1-ylpropyl)pyridine-3-carboxamide
CID 71942372
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
N-(3-indol-1-ylpropyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 24512759
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 24641440) is N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCCCn3ccc4ccccc43)c(C)n2n1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is XULBTPBAUGYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-12-19-22-13-17(15(2)25(19)23-14)20(26)21-9-5-10-24-11-8-16-6-3-4-7-18(16)24/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,21,26).
What are the key properties of N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24641440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).