[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone

C22H25ClN6O — CID 91891272

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c(N2CCCC2)n1
InChIInChI=1S/C22H25ClN6O/c1-16-15-29-20(21(24-16)27-7-2-3-8-27)14-19(25-29)22(30)28-11-9-26(10-12-28)18-6-4-5-17(23)13-18/h4-6,13-15H,2-3,7-12H2,1H3
InChIKeyRHBWCOIVJXNPOS-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.25
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone (PubChem CID 91891272) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone
PubChem CID91891272
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c(N2CCCC2)n1
InChIInChI=1S/C22H25ClN6O/c1-16-15-29-20(21(24-16)27-7-2-3-8-27)14-19(25-29)22(30)28-11-9-26(10-12-28)18-6-4-5-17(23)13-18/h4-6,13-15H,2-3,7-12H2,1H3
InChIKeyRHBWCOIVJXNPOS-UHFFFAOYSA-N
XLogP3.25
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone (CID 91891272) is [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone is Cc1cn2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c(N2CCCC2)n1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone?
The InChIKey is RHBWCOIVJXNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-16-15-29-20(21(24-16)27-7-2-3-8-27)14-19(25-29)22(30)28-11-9-26(10-12-28)18-6-4-5-17(23)13-18/h4-6,13-15H,2-3,7-12H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone has a molecular weight of 424.94 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 91891272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).