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

C22H20F2N6 — CID 67960139

IUPAC1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)C1
InChIInChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-10-26-11-20(27-19)30-8-2-3-14(25)12-30/h1,4-7,9-11,14H,2-3,8,12,25H2,(H,28,29)
InChIKeyHWIDISMNBLRQNP-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-3-amine

1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine (PubChem CID 67960139) 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-3-amine.

Molecular Properties

Compound Name1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine
PubChem CID67960139
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-3-amine
SMILESNC1CCCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)C1
InChIInChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-10-26-11-20(27-19)30-8-2-3-14(25)12-30/h1,4-7,9-11,14H,2-3,8,12,25H2,(H,28,29)
InChIKeyHWIDISMNBLRQNP-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine (CID 67960139) is 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine is NC1CCCN(c2cncc(-c3n[nH]c4ccc(-c5c(F)cccc5F)cc34)n2)C1.
What is the InChIKey of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine?
The InChIKey is HWIDISMNBLRQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6/c23-16-4-1-5-17(24)21(16)13-6-7-18-15(9-13)22(29-28-18)19-10-26-11-20(27-19)30-8-2-3-14(25)12-30/h1,4-7,9-11,14H,2-3,8,12,25H2,(H,28,29).
What are the key properties of 1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-amine?
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-3-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-3-amine is sourced from PubChem (CID 67960139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).