5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole

C25H25N5O3S — CID 50833813

IUPAC5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C25H25N5O3S/c1-29-22-13-14-30(34(31,32)20-12-11-17-7-5-6-10-19(17)15-20)16-21(22)23(27-29)25-26-24(28-33-25)18-8-3-2-4-9-18/h2-4,8-9,11-12,15H,5-7,10,13-14,16H2,1H3
InChIKeyFMDGKZXVAQYHRO-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.76
Rot. Bonds4

About 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50833813) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50833813
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C25H25N5O3S/c1-29-22-13-14-30(34(31,32)20-12-11-17-7-5-6-10-19(17)15-20)16-21(22)23(27-29)25-26-24(28-33-25)18-8-3-2-4-9-18/h2-4,8-9,11-12,15H,5-7,10,13-14,16H2,1H3
InChIKeyFMDGKZXVAQYHRO-UHFFFAOYSA-N
XLogP3.76
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 50833813) is 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is Cn1nc(-c2nc(-c3ccccc3)no2)c2c1CCN(S(=O)(=O)c1ccc3c(c1)CCCC3)C2.
What is the InChIKey of 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is FMDGKZXVAQYHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-29-22-13-14-30(34(31,32)20-12-11-17-7-5-6-10-19(17)15-20)16-21(22)23(27-29)25-26-24(28-33-25)18-8-3-2-4-9-18/h2-4,8-9,11-12,15H,5-7,10,13-14,16H2,1H3.
What are the key properties of 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 475.57 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50833813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).