2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C19H15ClFN5O3S2 — CID 53019099

IUPAC2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C19H15ClFN5O3S2/c1-25-14-8-9-26(31(27,28)16-7-6-15(20)30-16)10-12(14)17(24-25)19-23-22-18(29-19)11-4-2-3-5-13(11)21/h2-7H,8-10H2,1H3
InChIKeyWKLYZMPDWYACBN-UHFFFAOYSA-N
MW479.95 g/mol
LogP3.74
Rot. Bonds4

About 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 53019099) has the molecular formula C19H15ClFN5O3S2 and a molecular weight of 479.95 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID53019099
Molecular FormulaC19H15ClFN5O3S2
Molecular Weight479.95 g/mol
Exact Mass479.03
IUPAC Name2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2
InChIInChI=1S/C19H15ClFN5O3S2/c1-25-14-8-9-26(31(27,28)16-7-6-15(20)30-16)10-12(14)17(24-25)19-23-22-18(29-19)11-4-2-3-5-13(11)21/h2-7H,8-10H2,1H3
InChIKeyWKLYZMPDWYACBN-UHFFFAOYSA-N
XLogP3.74
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 53019099) is 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Cn1nc(-c2nnc(-c3ccccc3F)o2)c2c1CCN(S(=O)(=O)c1ccc(Cl)s1)C2.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is WKLYZMPDWYACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3S2/c1-25-14-8-9-26(31(27,28)16-7-6-15(20)30-16)10-12(14)17(24-25)19-23-22-18(29-19)11-4-2-3-5-13(11)21/h2-7H,8-10H2,1H3.
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 479.95 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53019099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).