6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine

C23H21F2N5 — CID 67959898

IUPAC6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(NC4CCNCC4)n3)c2c1
InChIInChI=1S/C23H21F2N5/c24-18-2-1-3-19(25)23(18)14-4-5-20-16(10-14)17(11-28-20)21-12-27-13-22(30-21)29-15-6-8-26-9-7-15/h1-5,10-13,15,26,28H,6-9H2,(H,29,30)
InChIKeyHHPQRNFKKTUMOC-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.73
Rot. Bonds4

About 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine

6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine (PubChem CID 67959898) has the molecular formula C23H21F2N5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
PubChem CID67959898
Molecular FormulaC23H21F2N5
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC Name6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
SMILESFc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(NC4CCNCC4)n3)c2c1
InChIInChI=1S/C23H21F2N5/c24-18-2-1-3-19(25)23(18)14-4-5-20-16(10-14)17(11-28-20)21-12-27-13-22(30-21)29-15-6-8-26-9-7-15/h1-5,10-13,15,26,28H,6-9H2,(H,29,30)
InChIKeyHHPQRNFKKTUMOC-UHFFFAOYSA-N
XLogP4.73
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine?
The IUPAC name of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine (CID 67959898) is 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine.
What is the SMILES notation for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine?
The canonical SMILES for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine is Fc1cccc(F)c1-c1ccc2[nH]cc(-c3cncc(NC4CCNCC4)n3)c2c1.
What is the InChIKey of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine?
The InChIKey is HHPQRNFKKTUMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5/c24-18-2-1-3-19(25)23(18)14-4-5-20-16(10-14)17(11-28-20)21-12-27-13-22(30-21)29-15-6-8-26-9-7-15/h1-5,10-13,15,26,28H,6-9H2,(H,29,30).
What are the key properties of 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine?
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine has a molecular weight of 405.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine is sourced from PubChem (CID 67959898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).