N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine

C23H15F2N3S2 — CID 138566321

IUPACN-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine
SMILESFc1ccc(SNc2cncc(-c3ccc(-c4ccc5[nH]ccc5c4)s3)c2)c(F)c1
InChIInChI=1S/C23H15F2N3S2/c24-17-2-4-23(19(25)11-17)30-28-18-10-16(12-26-13-18)22-6-5-21(29-22)15-1-3-20-14(9-15)7-8-27-20/h1-13,27-28H
InChIKeyDCHCZZIRUYDHJL-UHFFFAOYSA-N
MW435.52 g/mol
LogP7.36
Rot. Bonds5

About N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine

N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine (PubChem CID 138566321) has the molecular formula C23H15F2N3S2 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine
PubChem CID138566321
Molecular FormulaC23H15F2N3S2
Molecular Weight435.52 g/mol
Exact Mass435.07
IUPAC NameN-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine
SMILESFc1ccc(SNc2cncc(-c3ccc(-c4ccc5[nH]ccc5c4)s3)c2)c(F)c1
InChIInChI=1S/C23H15F2N3S2/c24-17-2-4-23(19(25)11-17)30-28-18-10-16(12-26-13-18)22-6-5-21(29-22)15-1-3-20-14(9-15)7-8-27-20/h1-13,27-28H
InChIKeyDCHCZZIRUYDHJL-UHFFFAOYSA-N
XLogP7.36
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine with MolForge

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Related Compounds

5-[5-[5-[(2,4-difluorophenyl)sulfanylamino]-3-pyridinyl]thiophen-2-yl]-1,3-dihydroindol-2-one
CID 138566303
5-[5-[5-[(2,4-difluorophenyl)sulfanylamino]-3-pyridinyl]thiophen-2-yl]-2,3-dimethyl-3H-isoindol-1-one
CID 138566375
4-[5-[5-[(2,4-difluorophenyl)sulfanylamino]-3-pyridinyl]thiophen-2-yl]-2-[[2-hydroxyethyl(methyl)amino]methyl]benzaldehyde
CID 138566474
5-(2,4-difluorophenyl)-1H-indole
CID 10176960
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680
5-fluoro-1H-indole;molecular fluorine
CID 123133815
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
2,4-difluoro-N-[5-[5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73296115
ethane;5-fluoro-1H-indole;molecular hydrogen
CID 144540127
5-(4-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162643919
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine?
The IUPAC name of N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine (CID 138566321) is N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine?
The canonical SMILES for N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine is Fc1ccc(SNc2cncc(-c3ccc(-c4ccc5[nH]ccc5c4)s3)c2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine?
The InChIKey is DCHCZZIRUYDHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3S2/c24-17-2-4-23(19(25)11-17)30-28-18-10-16(12-26-13-18)22-6-5-21(29-22)15-1-3-20-14(9-15)7-8-27-20/h1-13,27-28H.
What are the key properties of N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine?
N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine has a molecular weight of 435.52 g/mol, XLogP of 7.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)sulfanyl-5-[5-(1H-indol-5-yl)thiophen-2-yl]pyridin-3-amine is sourced from PubChem (CID 138566321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).