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

C25H25F2N5O4S — CID 163390816

IUPAC3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(OC)CC2)s1
InChIInChI=1S/C25H25F2N5O4S/c1-34-15-8-6-14(7-9-15)13-36-25-31-30-24(37-25)29-23(33)16-10-20-19(27)11-28-32(20)12-17(16)22-18(26)4-3-5-21(22)35-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,29,30,33)
InChIKeyUPTIGYRJTVRJAD-UHFFFAOYSA-N
MW529.57 g/mol
LogP4.98
Rot. Bonds8

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

3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 163390816) has the molecular formula C25H25F2N5O4S and a molecular weight of 529.57 g/mol. Its IUPAC name is 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)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-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID163390816
Molecular FormulaC25H25F2N5O4S
Molecular Weight529.57 g/mol
Exact Mass529.16
IUPAC Name3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(OC)CC2)s1
InChIInChI=1S/C25H25F2N5O4S/c1-34-15-8-6-14(7-9-15)13-36-25-31-30-24(37-25)29-23(33)16-10-20-19(27)11-28-32(20)12-17(16)22-18(26)4-3-5-21(22)35-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,29,30,33)
InChIKeyUPTIGYRJTVRJAD-UHFFFAOYSA-N
XLogP4.98
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 54.98
H-Bond Donors ≤ 51
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-methoxycyclohexyl)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-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide (CID 163390816) is 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)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-methoxycyclohexyl)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-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide is COc1cccc(F)c1-c1cn2ncc(F)c2cc1C(=O)Nc1nnc(OCC2CCC(OC)CC2)s1.
What is the InChIKey of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is UPTIGYRJTVRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O4S/c1-34-15-8-6-14(7-9-15)13-36-25-31-30-24(37-25)29-23(33)16-10-20-19(27)11-28-32(20)12-17(16)22-18(26)4-3-5-21(22)35-2/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H,29,30,33).
What are the key properties of 3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide?
3-fluoro-6-(2-fluoro-6-methoxyphenyl)-N-[5-[(4-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 529.57 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 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-methoxycyclohexyl)methoxy]-1,3,4-thiadiazol-2-yl]pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 163390816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).