6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine

C24H26N6 — CID 110094277

IUPAC6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine
SMILESCn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2ccccc21
InChIInChI=1S/C24H26N6/c1-29-16-19(20-6-2-3-7-22(20)29)17-30-12-9-18(10-13-30)21-14-25-15-24(27-21)28-23-8-4-5-11-26-23/h2-8,11,14-16,18H,9-10,12-13,17H2,1H3,(H,26,27,28)
InChIKeyOIEXBUWMLIKTFZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.49
Rot. Bonds5

About 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine

6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine (PubChem CID 110094277) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine
PubChem CID110094277
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine
SMILESCn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2ccccc21
InChIInChI=1S/C24H26N6/c1-29-16-19(20-6-2-3-7-22(20)29)17-30-12-9-18(10-13-30)21-14-25-15-24(27-21)28-23-8-4-5-11-26-23/h2-8,11,14-16,18H,9-10,12-13,17H2,1H3,(H,26,27,28)
InChIKeyOIEXBUWMLIKTFZ-UHFFFAOYSA-N
XLogP4.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine (CID 110094277) is 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine is Cn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2ccccc21.
What is the InChIKey of 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine?
The InChIKey is OIEXBUWMLIKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-29-16-19(20-6-2-3-7-22(20)29)17-30-12-9-18(10-13-30)21-14-25-15-24(27-21)28-23-8-4-5-11-26-23/h2-8,11,14-16,18H,9-10,12-13,17H2,1H3,(H,26,27,28).
What are the key properties of 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine?
6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-N-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 110094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).