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

C22H21F6N5O3S2 — CID 118709630

IUPAC2-[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
SMILESCc1csc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1
InChIInChI=1S/C22H21F6N5O3S2/c1-13-8-17(37-12-13)16-9-14(20(34,21(23,24)25)22(26,27)28)10-31-19(16)32-4-6-33(7-5-32)38(35,36)15-2-3-18(29)30-11-15/h2-3,8-12,34H,4-7H2,1H3,(H2,29,30)
InChIKeyCPHFZQDJCSXZMD-UHFFFAOYSA-N
MW581.56 g/mol
LogP3.92
Rot. Bonds5

About 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

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 (PubChem CID 118709630) has the molecular formula C22H21F6N5O3S2 and a molecular weight of 581.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID118709630
Molecular FormulaC22H21F6N5O3S2
Molecular Weight581.56 g/mol
Exact Mass581.10
IUPAC Name2-[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
SMILESCc1csc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1
InChIInChI=1S/C22H21F6N5O3S2/c1-13-8-17(37-12-13)16-9-14(20(34,21(23,24)25)22(26,27)28)10-31-19(16)32-4-6-33(7-5-32)38(35,36)15-2-3-18(29)30-11-15/h2-3,8-12,34H,4-7H2,1H3,(H2,29,30)
InChIKeyCPHFZQDJCSXZMD-UHFFFAOYSA-N
XLogP3.92
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
(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]piperazin-1-yl]-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709623
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]-1,1,1-trifluoropropan-2-ol
CID 73291808
(2R)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 89760985
(2S)-2-[6-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-prop-1-ynylpiperazin-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 89761168
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709612
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709616
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(2-cyclopropylethynyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709617
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118709618

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)c1.
What is the InChIKey of 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?
The InChIKey is CPHFZQDJCSXZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F6N5O3S2/c1-13-8-17(37-12-13)16-9-14(20(34,21(23,24)25)22(26,27)28)10-31-19(16)32-4-6-33(7-5-32)38(35,36)15-2-3-18(29)30-11-15/h2-3,8-12,34H,4-7H2,1H3,(H2,29,30).
What are the key properties of 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?
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 has a molecular weight of 581.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118709630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).