N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide

C20H20F2N4OS — CID 121479871

IUPACN-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cnc2sc(C(=O)NC3CN(c4ccc(C(C)(F)F)nc4)C3)cc2c1C
InChIInChI=1S/C20H20F2N4OS/c1-11-7-24-19-15(12(11)2)6-16(28-19)18(27)25-13-9-26(10-13)14-4-5-17(23-8-14)20(3,21)22/h4-8,13H,9-10H2,1-3H3,(H,25,27)
InChIKeyUSYNXGLVMYSYHS-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.04
Rot. Bonds4

About N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479871) has the molecular formula C20H20F2N4OS and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479871
Molecular FormulaC20H20F2N4OS
Molecular Weight402.47 g/mol
Exact Mass402.13
IUPAC NameN-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cnc2sc(C(=O)NC3CN(c4ccc(C(C)(F)F)nc4)C3)cc2c1C
InChIInChI=1S/C20H20F2N4OS/c1-11-7-24-19-15(12(11)2)6-16(28-19)18(27)25-13-9-26(10-13)14-4-5-17(23-8-14)20(3,21)22/h4-8,13H,9-10H2,1-3H3,(H,25,27)
InChIKeyUSYNXGLVMYSYHS-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 121479871) is N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cnc2sc(C(=O)NC3CN(c4ccc(C(C)(F)F)nc4)C3)cc2c1C.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is USYNXGLVMYSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4OS/c1-11-7-24-19-15(12(11)2)6-16(28-19)18(27)25-13-9-26(10-13)14-4-5-17(23-8-14)20(3,21)22/h4-8,13H,9-10H2,1-3H3,(H,25,27).
What are the key properties of N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).