2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C17H17F6N5O3S — CID 118709612

IUPAC2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C17H17F6N5O3S/c18-16(19,20)15(29,17(21,22)23)11-1-4-14(26-9-11)27-5-7-28(8-6-27)32(30,31)12-2-3-13(24)25-10-12/h1-4,9-10,29H,5-8H2,(H2,24,25)
InChIKeyCKLVLBHPCGYRLW-UHFFFAOYSA-N
MW485.41 g/mol
LogP1.88
Rot. Bonds4

About 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118709612) has the molecular formula C17H17F6N5O3S and a molecular weight of 485.41 g/mol. Its IUPAC name is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118709612
Molecular FormulaC17H17F6N5O3S
Molecular Weight485.41 g/mol
Exact Mass485.10
IUPAC Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C17H17F6N5O3S/c18-16(19,20)15(29,17(21,22)23)11-1-4-14(26-9-11)27-5-7-28(8-6-27)32(30,31)12-2-3-13(24)25-10-12/h1-4,9-10,29H,5-8H2,(H2,24,25)
InChIKeyCKLVLBHPCGYRLW-UHFFFAOYSA-N
XLogP1.88
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2-{4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]phenyl}-1,1,1,3,3,3-Hexafluoropropan-2-Ol
CID 73053709
2-(4-{4-[(6-Aminopyridin-3-Yl)sulfonyl]piperazin-1-Yl}phenyl)-1,1,1,3,3,3-Hexafluoropropan-2-Ol
CID 73659150
2-(2-{4-[(6-Aminopyridin-3-Yl)sulfonyl]piperazin-1-Yl}-3,3'-Bipyridin-5-Yl)-1,1,1,3,3,3-Hexafluoropropan-2-Ol
CID 73332001
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709623
2-[5-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
CID 59548255
2-(4-(4-((6-Amino-3-pyridinyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1-trifluoro-2-propanol
CID 66582313
(2R)-2-[4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 66582448
(2S)-2-[4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 66582550
2-[6-[5-(6-Aminopyridin-3-yl)sulfonylpyridin-2-yl]pyridin-3-yl]-1,1,1-trifluoropropan-2-ol
CID 71715252
2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715584
2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-3,3,3-trifluoropropane-1,2-diol
CID 71715700
2-[4-[4-[(6-Amino-3-pyridinyl)sulfonyl]-2-but-1-ynylpiperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 71715871

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118709612) is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cn3)CC2)cn1.
What is the InChIKey of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CKLVLBHPCGYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N5O3S/c18-16(19,20)15(29,17(21,22)23)11-1-4-14(26-9-11)27-5-7-28(8-6-27)32(30,31)12-2-3-13(24)25-10-12/h1-4,9-10,29H,5-8H2,(H2,24,25).
What are the key properties of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 485.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118709612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).