2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C24H20ClN5O4 — CID 58358093

IUPAC2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1nc(Cn2c(COCc3ccccc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)no1
InChIInChI=1S/C24H20ClN5O4/c1-15-26-21(28-34-15)12-29-20(14-33-13-16-7-3-2-4-8-16)23-18(11-22(29)31)27-30(24(23)32)19-10-6-5-9-17(19)25/h2-11,27H,12-14H2,1H3
InChIKeyPSPLMPHSWFGDGM-UHFFFAOYSA-N
MW477.91 g/mol
LogP3.59
Rot. Bonds7

About 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 58358093) has the molecular formula C24H20ClN5O4 and a molecular weight of 477.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID58358093
Molecular FormulaC24H20ClN5O4
Molecular Weight477.91 g/mol
Exact Mass477.12
IUPAC Name2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1nc(Cn2c(COCc3ccccc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)no1
InChIInChI=1S/C24H20ClN5O4/c1-15-26-21(28-34-15)12-29-20(14-33-13-16-7-3-2-4-8-16)23-18(11-22(29)31)27-30(24(23)32)19-10-6-5-9-17(19)25/h2-11,27H,12-14H2,1H3
InChIKeyPSPLMPHSWFGDGM-UHFFFAOYSA-N
XLogP3.59
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.91
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 58358093) is 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1nc(Cn2c(COCc3ccccc3)c3c(=O)n(-c4ccccc4Cl)[nH]c3cc2=O)no1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is PSPLMPHSWFGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O4/c1-15-26-21(28-34-15)12-29-20(14-33-13-16-7-3-2-4-8-16)23-18(11-22(29)31)27-30(24(23)32)19-10-6-5-9-17(19)25/h2-11,27H,12-14H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 477.91 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 58358093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).