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

C19H15F2N7OS — CID 170733989

IUPAC2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1[nH]c2ncc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)s4)nn3)cc2c1C
InChIInChI=1S/C19H15F2N7OS/c1-9-10(2)23-17-13(9)5-11(6-22-17)14-8-28(27-24-14)7-12-3-4-15(30-12)18-25-26-19(29-18)16(20)21/h3-6,8,16H,7H2,1-2H3,(H,22,23)
InChIKeySFZKHSNRINVQJC-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.54
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-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-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 170733989) has the molecular formula C19H15F2N7OS and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-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-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
PubChem CID170733989
Molecular FormulaC19H15F2N7OS
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC Name2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESCc1[nH]c2ncc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)s4)nn3)cc2c1C
InChIInChI=1S/C19H15F2N7OS/c1-9-10(2)23-17-13(9)5-11(6-22-17)14-8-28(27-24-14)7-12-3-4-15(30-12)18-25-26-19(29-18)16(20)21/h3-6,8,16H,7H2,1-2H3,(H,22,23)
InChIKeySFZKHSNRINVQJC-UHFFFAOYSA-N
XLogP4.54
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-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-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole (CID 170733989) is 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-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-dimethyl-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-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole is Cc1[nH]c2ncc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)s4)nn3)cc2c1C.
What is the InChIKey of 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is SFZKHSNRINVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7OS/c1-9-10(2)23-17-13(9)5-11(6-22-17)14-8-28(27-24-14)7-12-3-4-15(30-12)18-25-26-19(29-18)16(20)21/h3-6,8,16H,7H2,1-2H3,(H,22,23).
What are the key properties of 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-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-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 427.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-[[4-(2,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]thiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170733989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).