2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C25H23F3N4O3S — CID 130248556

IUPAC2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H23F3N4O3S/c1-13-31-12-20(36-13)14-5-15(7-16(6-14)25(26,27)28)22(34)32-17-8-24(9-17)10-18(11-24)35-23-19(21(29)33)3-2-4-30-23/h2-7,12,17-18H,8-11H2,1H3,(H2,29,33)(H,32,34)
InChIKeyGUKDTOAIXFVZEN-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.75
Rot. Bonds6

About 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 130248556) has the molecular formula C25H23F3N4O3S and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID130248556
Molecular FormulaC25H23F3N4O3S
Molecular Weight516.55 g/mol
Exact Mass516.14
IUPAC Name2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H23F3N4O3S/c1-13-31-12-20(36-13)14-5-15(7-16(6-14)25(26,27)28)22(34)32-17-8-24(9-17)10-18(11-24)35-23-19(21(29)33)3-2-4-30-23/h2-7,12,17-18H,8-11H2,1H3,(H2,29,33)(H,32,34)
InChIKeyGUKDTOAIXFVZEN-UHFFFAOYSA-N
XLogP4.75
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406315
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 137413250
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699738
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-8-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide
CID 130248314
2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586000
2-[6-[(6-fluoroquinazolin-4-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586037
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157022094
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157022093
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 130248556) is 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is Cc1ncc(-c2cc(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is GUKDTOAIXFVZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3S/c1-13-31-12-20(36-13)14-5-15(7-16(6-14)25(26,27)28)22(34)32-17-8-24(9-17)10-18(11-24)35-23-19(21(29)33)3-2-4-30-23/h2-7,12,17-18H,8-11H2,1H3,(H2,29,33)(H,32,34).
What are the key properties of 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 130248556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).