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

C24H22F2N4 — CID 161170313

IUPAC1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2cncc(C3=CCc4ccc(-c5c(F)cccc5F)cc43)n2)C1
InChIInChI=1S/C24H22F2N4/c25-20-4-1-5-21(26)24(20)16-7-6-15-8-9-18(19(15)11-16)22-12-28-13-23(29-22)30-10-2-3-17(27)14-30/h1,4-7,9,11-13,17H,2-3,8,10,14,27H2
InChIKeyIWXDVKPPRQFIAC-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.34
Rot. Bonds3

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

1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine (PubChem CID 161170313) has the molecular formula C24H22F2N4 and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
PubChem CID161170313
Molecular FormulaC24H22F2N4
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2cncc(C3=CCc4ccc(-c5c(F)cccc5F)cc43)n2)C1
InChIInChI=1S/C24H22F2N4/c25-20-4-1-5-21(26)24(20)16-7-6-15-8-9-18(19(15)11-16)22-12-28-13-23(29-22)30-10-2-3-17(27)14-30/h1,4-7,9,11-13,17H,2-3,8,10,14,27H2
InChIKeyIWXDVKPPRQFIAC-UHFFFAOYSA-N
XLogP4.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine (CID 161170313) is 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine is NC1CCCN(c2cncc(C3=CCc4ccc(-c5c(F)cccc5F)cc43)n2)C1.
What is the InChIKey of 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine?
The InChIKey is IWXDVKPPRQFIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4/c25-20-4-1-5-21(26)24(20)16-7-6-15-8-9-18(19(15)11-16)22-12-28-13-23(29-22)30-10-2-3-17(27)14-30/h1,4-7,9,11-13,17H,2-3,8,10,14,27H2.
What are the key properties of 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine?
1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine has a molecular weight of 404.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 161170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).