3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

C27H31FN6O3S — CID 131985175

IUPAC3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(C(=O)N(C)C)cc5F)nc4s3)CC2)n1
InChIInChI=1S/C27H31FN6O3S/c1-15(2)23-31-26(37-32-23)34-12-10-17(11-13-34)16(3)36-27-30-22-9-8-21(29-24(22)38-27)19-7-6-18(14-20(19)28)25(35)33(4)5/h6-9,14-17H,10-13H2,1-5H3
InChIKeyUCWJVZQHGCOKAC-UHFFFAOYSA-N
MW538.65 g/mol
LogP5.39
Rot. Bonds7

About 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide

3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 131985175) has the molecular formula C27H31FN6O3S and a molecular weight of 538.65 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID131985175
Molecular FormulaC27H31FN6O3S
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(C(=O)N(C)C)cc5F)nc4s3)CC2)n1
InChIInChI=1S/C27H31FN6O3S/c1-15(2)23-31-26(37-32-23)34-12-10-17(11-13-34)16(3)36-27-30-22-9-8-21(29-24(22)38-27)19-7-6-18(14-20(19)28)25(35)33(4)5/h6-9,14-17H,10-13H2,1-5H3
InChIKeyUCWJVZQHGCOKAC-UHFFFAOYSA-N
XLogP5.39
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide with MolForge

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Related Compounds

5-[4-[1-[[5-(2-Fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985142
5-[4-[[5-(3-Fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985148
5-[4-[(1S)-1-[[5-(3-fluoro-4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985158
5-[3-Fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985170
3-propan-2-yl-5-[4-[(1S)-1-[[5-[6-(trifluoromethyl)pyridin-3-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
CID 131985173
5-[4-[1-[[5-(2-Fluoro-4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985184
5-[(3R,4S)-3-fluoro-4-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985198
5-[4-[1-[[5-(2-Fluoro-4-methylsulfanylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985209
5-[4-[1-[[5-(3-Fluoro-4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985215
5-[3-Fluoro-4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985218
5-[4-[(1S)-1-[[5-(3-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985220
5-[4-[1-[[5-(3-Fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131985221

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide (CID 131985175) is 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(C(=O)N(C)C)cc5F)nc4s3)CC2)n1.
What is the InChIKey of 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is UCWJVZQHGCOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O3S/c1-15(2)23-31-26(37-32-23)34-12-10-17(11-13-34)16(3)36-27-30-22-9-8-21(29-24(22)38-27)19-7-6-18(14-20(19)28)25(35)33(4)5/h6-9,14-17H,10-13H2,1-5H3.
What are the key properties of 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide?
3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 538.65 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyl-4-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 131985175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).