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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Related Compounds

1-[6-[6-(2,6-difluorophenyl)-3H-inden-1-yl]pyrazin-2-yl]piperidin-3-amine
CID 161170313
1-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]piperidin-4-amine;(2-methoxyquinolin-3-yl)boronic acid;1-[6-[6-(2-methoxyquinolin-3-yl)-3H-isoindol-1-yl]pyrazin-2-yl]piperidin-4-amine
CID 160801995
1-[6-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-3-amine
CID 71253272
1-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-7-(2,6-difluorophenyl)-2H-quinolin-3-amine
CID 90281556
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407
1-[5-(3-bromo-4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697836
1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794171
1-[3-(2,3-dihydro-1-benzofuran-6-yl)-5-(4-fluoro-1H-benzimidazol-2-yl)-4-pyridinyl]pyrrolidin-3-amine
CID 139392789
1-[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-amine
CID 114697789
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
CID 56769926
(3S)-1-[3-[2-(2,6-difluorophenyl)imidazol-1-yl]-4-pyridinyl]piperidin-3-amine
CID 141361205
(3S)-1-[3-fluoro-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 72714386

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).