1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

C22H20F2N6 — CID 67959736

IUPAC1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1
InChIInChI=1S/C22H20F2N6/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(29-28-18)19-11-26-12-20(27-19)30-8-6-14(25)7-9-30/h1-5,10-12,14H,6-9,25H2,(H,28,29)
InChIKeyUGJQIWTWUCHEQM-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.89
Rot. Bonds3

About 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 67959736) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID67959736
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1
InChIInChI=1S/C22H20F2N6/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(29-28-18)19-11-26-12-20(27-19)30-8-6-14(25)7-9-30/h1-5,10-12,14H,6-9,25H2,(H,28,29)
InChIKeyUGJQIWTWUCHEQM-UHFFFAOYSA-N
XLogP3.89
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 67959736) is 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)CC1.
What is the InChIKey of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is UGJQIWTWUCHEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-16-2-1-3-17(24)21(16)13-4-5-18-15(10-13)22(29-28-18)19-11-26-12-20(27-19)30-8-6-14(25)7-9-30/h1-5,10-12,14H,6-9,25H2,(H,28,29).
What are the key properties of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 406.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 67959736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).