2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole

C17H13F2N7OS — CID 170733850

IUPAC2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5c(c4)CCN5)nn3)s2)o1
InChIInChI=1S/C17H13F2N7OS/c18-14(19)17-24-23-16(27-17)13-2-1-11(28-13)7-26-8-12(22-25-26)10-5-9-3-4-20-15(9)21-6-10/h1-2,5-6,8,14H,3-4,7H2,(H,20,21)
InChIKeyGPHUJPPCXVTSQX-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 170733850) has the molecular formula C17H13F2N7OS and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
PubChem CID170733850
Molecular FormulaC17H13F2N7OS
Molecular Weight401.40 g/mol
Exact Mass401.09
IUPAC Name2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5c(c4)CCN5)nn3)s2)o1
InChIInChI=1S/C17H13F2N7OS/c18-14(19)17-24-23-16(27-17)13-2-1-11(28-13)7-26-8-12(22-25-26)10-5-9-3-4-20-15(9)21-6-10/h1-2,5-6,8,14H,3-4,7H2,(H,20,21)
InChIKeyGPHUJPPCXVTSQX-UHFFFAOYSA-N
XLogP3.41
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole (CID 170733850) is 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cc(-c4cnc5c(c4)CCN5)nn3)s2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is GPHUJPPCXVTSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7OS/c18-14(19)17-24-23-16(27-17)13-2-1-11(28-13)7-26-8-12(22-25-26)10-5-9-3-4-20-15(9)21-6-10/h1-2,5-6,8,14H,3-4,7H2,(H,20,21).
What are the key properties of 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 401.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-[[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170733850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).