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

C22H18F2N4O2S — CID 45142486

IUPAC3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
InChIInChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
InChIKeyWISIHNWJSXFHCG-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.37
Rot. Bonds6

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

3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 45142486) has the molecular formula C22H18F2N4O2S and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID45142486
Molecular FormulaC22H18F2N4O2S
Molecular Weight440.48 g/mol
Exact Mass440.11
IUPAC Name3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
InChIInChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
InChIKeyWISIHNWJSXFHCG-UHFFFAOYSA-N
XLogP4.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide (CID 45142486) is 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12.
What is the InChIKey of 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WISIHNWJSXFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S/c1-12-9-16(30-11-13-5-7-26-8-6-13)28-22-17(12)19(25)20(31-22)21(29)27-10-14-3-2-4-15(23)18(14)24/h2-9H,10-11,25H2,1H3,(H,27,29).
What are the key properties of 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,3-difluorophenyl)methyl]-4-methyl-6-(pyridin-4-ylmethoxy)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 45142486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).