1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

C21H21N5O2 — CID 56896792

IUPAC1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)cc2n1
InChIInChI=1S/C21H21N5O2/c1-13-11-14(2)26-18(22-13)12-17(24-26)19(27)25-9-7-21(8-10-25)15-5-3-4-6-16(15)23-20(21)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)
InChIKeyJGUBKVNVPVMOOO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.47
Rot. Bonds1

About 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56896792) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56896792
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)cc2n1
InChIInChI=1S/C21H21N5O2/c1-13-11-14(2)26-18(22-13)12-17(24-26)19(27)25-9-7-21(8-10-25)15-5-3-4-6-16(15)23-20(21)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)
InChIKeyJGUBKVNVPVMOOO-UHFFFAOYSA-N
XLogP2.47
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 56896792) is 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is Cc1cc(C)n2nc(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)cc2n1.
What is the InChIKey of 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is JGUBKVNVPVMOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-11-14(2)26-18(22-13)12-17(24-26)19(27)25-9-7-21(8-10-25)15-5-3-4-6-16(15)23-20(21)28/h3-6,11-12H,7-10H2,1-2H3,(H,23,28).
What are the key properties of 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56896792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).