2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C20H16F3N3O3S2 — CID 122178260

IUPAC2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC#Cc1cc(C(C)(O)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)s1
InChIInChI=1S/C20H16F3N3O3S2/c1-3-4-12-9-13(19(2,27)20(21,22)23)10-26-18(12)15-6-8-17(30-15)31(28,29)14-5-7-16(24)25-11-14/h5-11,27H,1-2H3,(H2,24,25)
InChIKeyWNQFIUIJXPOGMC-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.76
Rot. Bonds4

About 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122178260) has the molecular formula C20H16F3N3O3S2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID122178260
Molecular FormulaC20H16F3N3O3S2
Molecular Weight467.49 g/mol
Exact Mass467.06
IUPAC Name2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC#Cc1cc(C(C)(O)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)s1
InChIInChI=1S/C20H16F3N3O3S2/c1-3-4-12-9-13(19(2,27)20(21,22)23)10-26-18(12)15-6-8-17(30-15)31(28,29)14-5-7-16(24)25-11-14/h5-11,27H,1-2H3,(H2,24,25)
InChIKeyWNQFIUIJXPOGMC-UHFFFAOYSA-N
XLogP3.76
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

(2s)-2-(6-{5-[(6-Aminopyridin-3-Yl)sulfonyl]thiophen-2-Yl}-5-Chloropyridin-3-Yl)-1,1,1-Trifluoropropan-2-Ol
CID 76871910
(2s)-2-{6'-[(6-Aminopyridin-3-Yl)sulfonyl]-2'-(Phenylamino)-2,3'-Bipyridin-5-Yl}-1,1,1-Trifluoropropan-2-Ol
CID 76871911
2-(6-(4-((6-Amino-3-pyridinyl)sulfonyl)phenyl)-3-pyridinyl)-1,1,1,3,3,3-hexafluoro-2-propanol
CID 56933051
2-[6-[4-(6-Aminopyridin-3-yl)sulfonylphenyl]-5-prop-1-ynylpyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715077
2-[6-[4-(6-Aminopyridin-3-yl)sulfonylphenyl]-5-(3-methoxyprop-1-ynyl)pyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715133
2-[6-[4-(6-Aminopyridin-3-yl)sulfonylphenyl]-5-(3-hydroxyprop-1-ynyl)pyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715135
2-[6-[5-(6-Aminopyridin-3-yl)sulfonylpyridin-2-yl]pyridin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 71715252
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(4-methylthiophen-2-yl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709630
2-[4-[(6-Amino-3-pyridinyl)sulfonyl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyridine-3-carbonitrile
CID 122178239
(2S)-4-[2-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]but-3-yn-2-ol
CID 122178240
4-[2-[4-[(6-Amino-3-pyridinyl)sulfonyl]phenyl]-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]-2-methylbut-3-yn-2-ol
CID 122178241
2-[6-[6-[(6-Amino-3-pyridinyl)sulfonyl]-2-(methylamino)-3-pyridinyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 122178242

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 122178260) is 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is CC#Cc1cc(C(C)(O)C(F)(F)F)cnc1-c1ccc(S(=O)(=O)c2ccc(N)nc2)s1.
What is the InChIKey of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WNQFIUIJXPOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S2/c1-3-4-12-9-13(19(2,27)20(21,22)23)10-26-18(12)15-6-8-17(30-15)31(28,29)14-5-7-16(24)25-11-14/h5-11,27H,1-2H3,(H2,24,25).
What are the key properties of 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 467.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-[(6-amino-3-pyridinyl)sulfonyl]thiophen-2-yl]-5-prop-1-ynyl-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122178260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).