furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone

C21H24N6O3 — CID 91919215

IUPACfuran-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cn2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c(N2CCCC2)n1
InChIInChI=1S/C21H24N6O3/c1-15-14-27-17(19(22-15)24-6-2-3-7-24)13-16(23-27)20(28)25-8-10-26(11-9-25)21(29)18-5-4-12-30-18/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyMQYXEROIGISTJU-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.83
Rot. Bonds3

About furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 91919215) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID91919215
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Namefuran-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cn2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c(N2CCCC2)n1
InChIInChI=1S/C21H24N6O3/c1-15-14-27-17(19(22-15)24-6-2-3-7-24)13-16(23-27)20(28)25-8-10-26(11-9-25)21(29)18-5-4-12-30-18/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyMQYXEROIGISTJU-UHFFFAOYSA-N
XLogP1.83
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone (CID 91919215) is furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone is Cc1cn2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2c(N2CCCC2)n1.
What is the InChIKey of furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MQYXEROIGISTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-15-14-27-17(19(22-15)24-6-2-3-7-24)13-16(23-27)20(28)25-8-10-26(11-9-25)21(29)18-5-4-12-30-18/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 408.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91919215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).