N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide

C19H19F2N3OS — CID 166203069

IUPACN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2c(F)c(F)ccc2[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C19H19F2N3OS/c1-11(24-6-4-17-12(10-24)5-7-26-17)9-22-19(25)16-8-13-15(23-16)3-2-14(20)18(13)21/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,22,25)
InChIKeyXCIHNVHBOGVTDG-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide (PubChem CID 166203069) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide
PubChem CID166203069
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC NameN-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide
SMILESCC(CNC(=O)c1cc2c(F)c(F)ccc2[nH]1)N1CCc2sccc2C1
InChIInChI=1S/C19H19F2N3OS/c1-11(24-6-4-17-12(10-24)5-7-26-17)9-22-19(25)16-8-13-15(23-16)3-2-14(20)18(13)21/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,22,25)
InChIKeyXCIHNVHBOGVTDG-UHFFFAOYSA-N
XLogP3.68
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
4-bromo-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 46400251
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 139003731
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
CID 39185572
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46400297
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide (CID 166203069) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide is CC(CNC(=O)c1cc2c(F)c(F)ccc2[nH]1)N1CCc2sccc2C1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide?
The InChIKey is XCIHNVHBOGVTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-11(24-6-4-17-12(10-24)5-7-26-17)9-22-19(25)16-8-13-15(23-16)3-2-14(20)18(13)21/h2-3,5,7-8,11,23H,4,6,9-10H2,1H3,(H,22,25).
What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide?
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4,5-difluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 166203069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).