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

C21H21F6N7O3S — CID 118709623

IUPAC2-[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
SMILESCn1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1
InChIInChI=1S/C21H21F6N7O3S/c1-32-12-13(9-31-32)16-8-14(19(35,20(22,23)24)21(25,26)27)10-30-18(16)33-4-6-34(7-5-33)38(36,37)15-2-3-17(28)29-11-15/h2-3,8-12,35H,4-7H2,1H3,(H2,28,29)
InChIKeyHYRZJDXFIXBPRU-UHFFFAOYSA-N
MW565.50 g/mol
LogP2.28
Rot. Bonds5

About 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

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 (PubChem CID 118709623) has the molecular formula C21H21F6N7O3S and a molecular weight of 565.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID118709623
Molecular FormulaC21H21F6N7O3S
Molecular Weight565.50 g/mol
Exact Mass565.13
IUPAC Name2-[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
SMILESCn1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1
InChIInChI=1S/C21H21F6N7O3S/c1-32-12-13(9-31-32)16-8-14(19(35,20(22,23)24)21(25,26)27)10-30-18(16)33-4-6-34(7-5-33)38(36,37)15-2-3-17(28)29-11-15/h2-3,8-12,35H,4-7H2,1H3,(H2,28,29)
InChIKeyHYRZJDXFIXBPRU-UHFFFAOYSA-N
XLogP2.28
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-c2cc(C(O)(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1.
What is the InChIKey of 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?
The InChIKey is HYRZJDXFIXBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F6N7O3S/c1-32-12-13(9-31-32)16-8-14(19(35,20(22,23)24)21(25,26)27)10-30-18(16)33-4-6-34(7-5-33)38(36,37)15-2-3-17(28)29-11-15/h2-3,8-12,35H,4-7H2,1H3,(H2,28,29).
What are the key properties of 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?
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 has a molecular weight of 565.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118709623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).