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

C23H21F2N5 — CID 157468015

IUPAC1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2cncc(C3=NCc4ccc(-c5c(F)cccc5F)cc43)n2)C1
InChIInChI=1S/C23H21F2N5/c24-18-4-1-5-19(25)22(18)14-6-7-15-10-28-23(17(15)9-14)20-11-27-12-21(29-20)30-8-2-3-16(26)13-30/h1,4-7,9,11-12,16H,2-3,8,10,13,26H2
InChIKeyOLVAYDGMHNJUBA-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.70
Rot. Bonds3

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

1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine (PubChem CID 157468015) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine
PubChem CID157468015
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC Name1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2cncc(C3=NCc4ccc(-c5c(F)cccc5F)cc43)n2)C1
InChIInChI=1S/C23H21F2N5/c24-18-4-1-5-19(25)22(18)14-6-7-15-10-28-23(17(15)9-14)20-11-27-12-21(29-20)30-8-2-3-16(26)13-30/h1,4-7,9,11-12,16H,2-3,8,10,13,26H2
InChIKeyOLVAYDGMHNJUBA-UHFFFAOYSA-N
XLogP3.70
TPSA67.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine?
The IUPAC name of 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine (CID 157468015) is 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine is NC1CCCN(c2cncc(C3=NCc4ccc(-c5c(F)cccc5F)cc43)n2)C1.
What is the InChIKey of 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine?
The InChIKey is OLVAYDGMHNJUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c24-18-4-1-5-19(25)22(18)14-6-7-15-10-28-23(17(15)9-14)20-11-27-12-21(29-20)30-8-2-3-16(26)13-30/h1,4-7,9,11-12,16H,2-3,8,10,13,26H2.
What are the key properties of 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine?
1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine has a molecular weight of 405.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-(2,6-difluorophenyl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-3-amine is sourced from PubChem (CID 157468015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).