N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide

C25H18F3N3O3 — CID 90038857

IUPACN-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cccc2cccnc12
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)34-18-10-8-17(9-11-18)24(12-15-33-20-7-3-14-30-22(20)24)31-23(32)19-6-1-4-16-5-2-13-29-21(16)19/h1-11,13-14H,12,15H2,(H,31,32)
InChIKeyRQSOIGFIVMOAGI-UHFFFAOYSA-N
MW465.43 g/mol
LogP4.98
Rot. Bonds4

About N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide

N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide (PubChem CID 90038857) has the molecular formula C25H18F3N3O3 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
PubChem CID90038857
Molecular FormulaC25H18F3N3O3
Molecular Weight465.43 g/mol
Exact Mass465.13
IUPAC NameN-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
SMILESO=C(NC1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cccc2cccnc12
InChIInChI=1S/C25H18F3N3O3/c26-25(27,28)34-18-10-8-17(9-11-18)24(12-15-33-20-7-3-14-30-22(20)24)31-23(32)19-6-1-4-16-5-2-13-29-21(16)19/h1-11,13-14H,12,15H2,(H,31,32)
InChIKeyRQSOIGFIVMOAGI-UHFFFAOYSA-N
XLogP4.98
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
CID 90039619
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
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
CID 90040204
methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 123688198
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
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
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 129388315
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123628649
4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-hydroxybenzoic acid
CID 90038730
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-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 73056275

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide?
The IUPAC name of N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide (CID 90038857) is N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide is O=C(NC1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cccc2cccnc12.
What is the InChIKey of N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide?
The InChIKey is RQSOIGFIVMOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O3/c26-25(27,28)34-18-10-8-17(9-11-18)24(12-15-33-20-7-3-14-30-22(20)24)31-23(32)19-6-1-4-16-5-2-13-29-21(16)19/h1-11,13-14H,12,15H2,(H,31,32).
What are the key properties of N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide?
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide has a molecular weight of 465.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide is sourced from PubChem (CID 90038857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).