3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide

C24H23F2N5O4S — CID 167102916

IUPAC3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1
InChIInChI=1S/C24H23F2N5O4S/c1-34-20-4-2-3-17(25)21(20)16-11-31-19(18(26)10-27-31)9-15(16)22(33)28-23-29-30-24(36-23)35-12-13-5-7-14(32)8-6-13/h2-4,9-11,13-14,32H,5-8,12H2,1H3,(H,28,29,33)
InChIKeyHYJRKPYLILPWJF-UHFFFAOYSA-N
MW515.54 g/mol
LogP4.32
Rot. Bonds7

About 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide

3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 167102916) has the molecular formula C24H23F2N5O4S and a molecular weight of 515.54 g/mol. Its IUPAC name is 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID167102916
Molecular FormulaC24H23F2N5O4S
Molecular Weight515.54 g/mol
Exact Mass515.14
IUPAC Name3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1
InChIInChI=1S/C24H23F2N5O4S/c1-34-20-4-2-3-17(25)21(20)16-11-31-19(18(26)10-27-31)9-15(16)22(33)28-23-29-30-24(36-23)35-12-13-5-7-14(32)8-6-13/h2-4,9-11,13-14,32H,5-8,12H2,1H3,(H,28,29,33)
InChIKeyHYJRKPYLILPWJF-UHFFFAOYSA-N
XLogP4.32
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 167102916) is 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide is COc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(O)CC2)s1.
What is the InChIKey of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is HYJRKPYLILPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4S/c1-34-20-4-2-3-17(25)21(20)16-11-31-19(18(26)10-27-31)9-15(16)22(33)28-23-29-30-24(36-23)35-12-13-5-7-14(32)8-6-13/h2-4,9-11,13-14,32H,5-8,12H2,1H3,(H,28,29,33).
What are the key properties of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-hydroxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 167102916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).