2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

C28H29N5O3 — CID 45498089

IUPAC2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)n1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C28H29N5O3/c1-20(2)32-18-23(26-24(19-32)28(36)33(29-26)22-11-7-4-8-12-22)27(35)31-15-13-30(14-16-31)25(34)17-21-9-5-3-6-10-21/h3-12,18-20H,13-17H2,1-2H3
InChIKeyJKBJKAFXIVLXJF-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.25
Rot. Bonds5

About 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 45498089) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
PubChem CID45498089
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)n1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C28H29N5O3/c1-20(2)32-18-23(26-24(19-32)28(36)33(29-26)22-11-7-4-8-12-22)27(35)31-15-13-30(14-16-31)25(34)17-21-9-5-3-6-10-21/h3-12,18-20H,13-17H2,1-2H3
InChIKeyJKBJKAFXIVLXJF-UHFFFAOYSA-N
XLogP3.25
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (CID 45498089) is 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is CC(C)n1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is JKBJKAFXIVLXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-20(2)32-18-23(26-24(19-32)28(36)33(29-26)22-11-7-4-8-12-22)27(35)31-15-13-30(14-16-31)25(34)17-21-9-5-3-6-10-21/h3-12,18-20H,13-17H2,1-2H3.
What are the key properties of 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 483.57 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[4-(2-phenylacetyl)piperazine-1-carbonyl]-5-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 45498089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).