methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate

C25H21F3N2O5 — CID 123688198

IUPACmethyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc32)cc1C
InChIInChI=1S/C25H21F3N2O5/c1-15-14-16(5-10-19(15)23(32)33-2)22(31)30-24(11-13-34-20-4-3-12-29-21(20)24)17-6-8-18(9-7-17)35-25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,31)
InChIKeyXJFYTNKIDALMEA-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.53
Rot. Bonds5

About methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate

methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate (PubChem CID 123688198) has the molecular formula C25H21F3N2O5 and a molecular weight of 486.45 g/mol. Its IUPAC name is methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
PubChem CID123688198
Molecular FormulaC25H21F3N2O5
Molecular Weight486.45 g/mol
Exact Mass486.14
IUPAC Namemethyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc32)cc1C
InChIInChI=1S/C25H21F3N2O5/c1-15-14-16(5-10-19(15)23(32)33-2)22(31)30-24(11-13-34-20-4-3-12-29-21(20)24)17-6-8-18(9-7-17)35-25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,31)
InChIKeyXJFYTNKIDALMEA-UHFFFAOYSA-N
XLogP4.53
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate with MolForge

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Related Compounds

methyl 2-amino-4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 90039427
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
CID 90038857
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 90039749
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
CID 90040204
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90039800
5-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-methoxybenzoic acid
CID 90039865
4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-hydroxybenzoic acid
CID 90038730
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]isoquinoline-5-carboxamide
CID 90039843
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-benzimidazole-4-carboxamide
CID 90039976
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
CID 90039619
methyl 6-[[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]pyridine-3-carboxylate
CID 90039328
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123628649

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate?
The IUPAC name of methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate (CID 123688198) is methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc32)cc1C.
What is the InChIKey of methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate?
The InChIKey is XJFYTNKIDALMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O5/c1-15-14-16(5-10-19(15)23(32)33-2)22(31)30-24(11-13-34-20-4-3-12-29-21(20)24)17-6-8-18(9-7-17)35-25(26,27)28/h3-10,12,14H,11,13H2,1-2H3,(H,30,31).
What are the key properties of methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate?
methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate has a molecular weight of 486.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 123688198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).