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

C17H16F2N4O3S — CID 146067023

IUPAC2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1
InChIInChI=1S/C17H16F2N4O3S/c1-10-8-20-17(26-10)16-12-9-23(6-5-14(12)22(2)21-16)27(24,25)15-4-3-11(18)7-13(15)19/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyDTVLPZIOUWOUOP-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.41
Rot. Bonds3

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

2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole (PubChem CID 146067023) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
PubChem CID146067023
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC Name2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1
InChIInChI=1S/C17H16F2N4O3S/c1-10-8-20-17(26-10)16-12-9-23(6-5-14(12)22(2)21-16)27(24,25)15-4-3-11(18)7-13(15)19/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyDTVLPZIOUWOUOP-UHFFFAOYSA-N
XLogP2.41
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2,4-difluorophenyl)sulfonyl-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole
CID 146067120
2-[5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 53019101
2-(2-fluorophenyl)-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
CID 53019085
2-[5-(4-tert-butylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 53019091
(2,4-difluorophenyl)-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 146070705
5-[1-methyl-5-(2-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50834182
2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 53019126
3-methyl-5-[1-methyl-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,2,4-oxadiazole
CID 53018904
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
2-(4-methylphenyl)-5-[1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3,4-oxadiazole
CID 53019058
5-methyl-2-[1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1,3-oxazole
CID 146067008
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole (CID 146067023) is 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole is Cc1cnc(-c2nn(C)c3c2CN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
The InChIKey is DTVLPZIOUWOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-10-8-20-17(26-10)16-12-9-23(6-5-14(12)22(2)21-16)27(24,25)15-4-3-11(18)7-13(15)19/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole?
2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole has a molecular weight of 394.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 146067023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).