N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide

C24H17F3N2O3S — CID 90040204

IUPACN-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cc2ccccc2s1
InChIInChI=1S/C24H17F3N2O3S/c25-24(26,27)32-17-9-7-16(8-10-17)23(11-13-31-18-5-3-12-28-21(18)23)29-22(30)20-14-15-4-1-2-6-19(15)33-20/h1-10,12,14H,11,13H2,(H,29,30)/t23-/m0/s1
InChIKeyAGBSHLSMPQTTRO-QHCPKHFHSA-N
MW470.47 g/mol
LogP5.65
Rot. Bonds4

About N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide

N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide (PubChem CID 90040204) has the molecular formula C24H17F3N2O3S and a molecular weight of 470.47 g/mol. Its IUPAC name is N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
PubChem CID90040204
Molecular FormulaC24H17F3N2O3S
Molecular Weight470.47 g/mol
Exact Mass470.09
IUPAC NameN-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
SMILESO=C(N[C@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cc2ccccc2s1
InChIInChI=1S/C24H17F3N2O3S/c25-24(26,27)32-17-9-7-16(8-10-17)23(11-13-31-18-5-3-12-28-21(18)23)29-22(30)20-14-15-4-1-2-6-19(15)33-20/h1-10,12,14H,11,13H2,(H,29,30)/t23-/m0/s1
InChIKeyAGBSHLSMPQTTRO-QHCPKHFHSA-N
XLogP5.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
CID 90038857
methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 123688198
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]isoquinoline-5-carboxamide
CID 90039843
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
CID 90039619
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
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]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 90039749
N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1,2-thiazole-4-carboxamide
CID 90039476
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123628649
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 129388315
N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 73056275
N-(thiophen-3-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-amine
CID 123687066

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide (CID 90040204) is N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide is O=C(N[C@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21)c1cc2ccccc2s1.
What is the InChIKey of N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is AGBSHLSMPQTTRO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H17F3N2O3S/c25-24(26,27)32-17-9-7-16(8-10-17)23(11-13-31-18-5-3-12-28-21(18)23)29-22(30)20-14-15-4-1-2-6-19(15)33-20/h1-10,12,14H,11,13H2,(H,29,30)/t23-/m0/s1.
What are the key properties of N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide?
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 90040204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).