3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C23H17BrFN3OS — CID 123161511

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC=Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Br)cc4F)sc3n2)cc1
InChIInChI=1S/C23H17BrFN3OS/c1-2-3-13-4-6-14(7-5-13)18-11-9-16-20(26)21(30-23(16)28-18)22(29)27-19-10-8-15(24)12-17(19)25/h2-12H,26H2,1H3,(H,27,29)
InChIKeyAKFRWICNCUQULC-UHFFFAOYSA-N
MW482.38 g/mol
LogP6.73
Rot. Bonds4

About 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 123161511) has the molecular formula C23H17BrFN3OS and a molecular weight of 482.38 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID123161511
Molecular FormulaC23H17BrFN3OS
Molecular Weight482.38 g/mol
Exact Mass481.03
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC=Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Br)cc4F)sc3n2)cc1
InChIInChI=1S/C23H17BrFN3OS/c1-2-3-13-4-6-14(7-5-13)18-11-9-16-20(26)21(30-23(16)28-18)22(29)27-19-10-8-15(24)12-17(19)25/h2-12H,26H2,1H3,(H,27,29)
InChIKeyAKFRWICNCUQULC-UHFFFAOYSA-N
XLogP6.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.38
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-bromo-2-methylphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004038
3-amino-N,6-bis(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002396
3-amino-N-(4-chloro-2-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1003444
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
3-amino-N-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 126379375
3-amino-N-(2-iodophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23745753
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536
3-amino-6-(4-methylphenyl)-N-[4-[3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 74017671
3-amino-6-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004083
2-[[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoic acid
CID 21233658
3-amino-N-(4-methoxy-2-methylphenyl)-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1239621

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 123161511) is 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide is CC=Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Br)cc4F)sc3n2)cc1.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AKFRWICNCUQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN3OS/c1-2-3-13-4-6-14(7-5-13)18-11-9-16-20(26)21(30-23(16)28-18)22(29)27-19-10-8-15(24)12-17(19)25/h2-12H,26H2,1H3,(H,27,29).
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 6.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-fluorophenyl)-6-(4-prop-1-enylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 123161511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).