3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole

C16H17N5O3S — CID 30957616

IUPAC3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C16H17N5O3S/c1-10-15(11(2)24-20-10)16-13-9-21(7-5-14(13)18-19-16)25(22,23)12-4-3-6-17-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,19)
InChIKeySTUWPPMBLDLALB-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.82
Rot. Bonds3

About 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole

3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole (PubChem CID 30957616) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole
PubChem CID30957616
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1cccnc1)CC2
InChIInChI=1S/C16H17N5O3S/c1-10-15(11(2)24-20-10)16-13-9-21(7-5-14(13)18-19-16)25(22,23)12-4-3-6-17-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,19)
InChIKeySTUWPPMBLDLALB-UHFFFAOYSA-N
XLogP1.82
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-Allylpyrazol-4-yl)-1-(2-fluorophenyl) sulfonyl-pyrrolo[3,2-b] pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628232
4-[1-(2-Fluorophenyl) sulfonyl-3-(1-methyl-pyrazol-4-yl)pyrrolo [3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628233
4-[3-[1-(Difluoromethyl) pyrazol-4-yl]-1-(2-fluorophenyl)sulfonyl-pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628342
4-[1-(4-Fluorophenyl) sulfonyl-3-(1-methyl-pyrazol-4-yl)pyrrolo [3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628368
4-[3-(1-Ethylpyrazol-4-yl)-1-(2-fluorophenyl) sulfonyl-pyrrolo[3,2-b] pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628424
4-[1-(Benzenesulfonyl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628479
4-[1-(3-Fluorophenyl) sulfonyl-3-(1-methyl-pyrazol-4-yl)pyrrolo [3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628544
4-[1-(Benzenesulfonyl)-3-[1-(difluoromethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628562
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
CID 95857692
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
3,5-dimethyl-4-(2-methyl-4-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)-1,2-oxazole
CID 134809180
4-[1-[1-(Difluoromethyl)-3-methyl-pyrazol-4-yl]sulfonylpyrrolo [3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628389

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole (CID 30957616) is 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole is Cc1noc(C)c1-c1n[nH]c2c1CN(S(=O)(=O)c1cccnc1)CC2.
What is the InChIKey of 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole?
The InChIKey is STUWPPMBLDLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-15(11(2)24-20-10)16-13-9-21(7-5-14(13)18-19-16)25(22,23)12-4-3-6-17-8-12/h3-4,6,8H,5,7,9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole?
3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole has a molecular weight of 359.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole is sourced from PubChem (CID 30957616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).