3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one

C26H25ClN4O4 — CID 155351845

IUPAC3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1-n1cc(C)n2ncc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2c1=O
InChIInChI=1S/C26H25ClN4O4/c1-17-16-30(22-5-3-4-6-23(22)34-2)26(33)24-21(15-28-31(17)24)25(32)29-13-11-20(12-14-29)35-19-9-7-18(27)8-10-19/h3-10,15-16,20H,11-14H2,1-2H3
InChIKeyUCNZVOINOGGIOR-UHFFFAOYSA-N
MW492.96 g/mol
LogP4.14
Rot. Bonds5

About 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one

3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155351845) has the molecular formula C26H25ClN4O4 and a molecular weight of 492.96 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID155351845
Molecular FormulaC26H25ClN4O4
Molecular Weight492.96 g/mol
Exact Mass492.16
IUPAC Name3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1-n1cc(C)n2ncc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2c1=O
InChIInChI=1S/C26H25ClN4O4/c1-17-16-30(22-5-3-4-6-23(22)34-2)26(33)24-21(15-28-31(17)24)25(32)29-13-11-20(12-14-29)35-19-9-7-18(27)8-10-19/h3-10,15-16,20H,11-14H2,1-2H3
InChIKeyUCNZVOINOGGIOR-UHFFFAOYSA-N
XLogP4.14
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one (CID 155351845) is 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1-n1cc(C)n2ncc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c2c1=O.
What is the InChIKey of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UCNZVOINOGGIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4/c1-17-16-30(22-5-3-4-6-23(22)34-2)26(33)24-21(15-28-31(17)24)25(32)29-13-11-20(12-14-29)35-19-9-7-18(27)8-10-19/h3-10,15-16,20H,11-14H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one?
3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 492.96 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-5-(2-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155351845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).