2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C20H21F6N5O3S — CID 118709616

IUPAC2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1
InChIInChI=1S/C20H21F6N5O3S/c21-19(22,23)18(32,20(24,25)26)13-9-15(12-1-2-12)17(29-10-13)30-5-7-31(8-6-30)35(33,34)14-3-4-16(27)28-11-14/h3-4,9-12,32H,1-2,5-8H2,(H2,27,28)
InChIKeyHXJSEUWGSQNESP-UHFFFAOYSA-N
MW525.48 g/mol
LogP2.76
Rot. Bonds5

About 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118709616) has the molecular formula C20H21F6N5O3S and a molecular weight of 525.48 g/mol. Its IUPAC name is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-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-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118709616
Molecular FormulaC20H21F6N5O3S
Molecular Weight525.48 g/mol
Exact Mass525.13
IUPAC Name2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1
InChIInChI=1S/C20H21F6N5O3S/c21-19(22,23)18(32,20(24,25)26)13-9-15(12-1-2-12)17(29-10-13)30-5-7-31(8-6-30)35(33,34)14-3-4-16(27)28-11-14/h3-4,9-12,32H,1-2,5-8H2,(H2,27,28)
InChIKeyHXJSEUWGSQNESP-UHFFFAOYSA-N
XLogP2.76
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
(2s)-2-{4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]phenyl}-3,3,3-Trifluoropropane-1,2-Diol
CID 76871909
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-(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]-5-cyclopropyl-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-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118709616) is 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1.
What is the InChIKey of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HXJSEUWGSQNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O3S/c21-19(22,23)18(32,20(24,25)26)13-9-15(12-1-2-12)17(29-10-13)30-5-7-31(8-6-30)35(33,34)14-3-4-16(27)28-11-14/h3-4,9-12,32H,1-2,5-8H2,(H2,27,28).
What are the key properties of 2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[6-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 525.48 g/mol, XLogP of 2.76, 5 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]-5-cyclopropyl-3-pyridinyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118709616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).