3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

C19H12F2N4OS — CID 1086340

IUPAC3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C19H12F2N4OS/c20-13-3-1-11(9-14(13)21)24-18(26)17-16(22)12-2-4-15(25-19(12)27-17)10-5-7-23-8-6-10/h1-9H,22H2,(H,24,26)
InChIKeyWDLFLFHJALLNTM-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.47
Rot. Bonds3

About 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086340) has the molecular formula C19H12F2N4OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086340
Molecular FormulaC19H12F2N4OS
Molecular Weight382.40 g/mol
Exact Mass382.07
IUPAC Name3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12
InChIInChI=1S/C19H12F2N4OS/c20-13-3-1-11(9-14(13)21)24-18(26)17-16(22)12-2-4-15(25-19(12)27-17)10-5-7-23-8-6-10/h1-9H,22H2,(H,24,26)
InChIKeyWDLFLFHJALLNTM-UHFFFAOYSA-N
XLogP4.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1086340) is 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12.
What is the InChIKey of 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WDLFLFHJALLNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4OS/c20-13-3-1-11(9-14(13)21)24-18(26)17-16(22)12-2-4-15(25-19(12)27-17)10-5-7-23-8-6-10/h1-9H,22H2,(H,24,26).
What are the key properties of 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-difluorophenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).