6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine

C24H26N6 — CID 95836361

IUPAC6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc([C@H]3CCCN3Cc3cn(C)c4ccccc34)n2)n1
InChIInChI=1S/C24H26N6/c1-17-7-5-11-23(26-17)28-24-14-25-13-20(27-24)22-10-6-12-30(22)16-18-15-29(2)21-9-4-3-8-19(18)21/h3-5,7-9,11,13-15,22H,6,10,12,16H2,1-2H3,(H,26,27,28)/t22-/m1/s1
InChIKeyMAIZTOAYVHTJRP-JOCHJYFZSA-N
MW398.51 g/mol
LogP4.75
Rot. Bonds5

About 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine

6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine (PubChem CID 95836361) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
PubChem CID95836361
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
SMILESCc1cccc(Nc2cncc([C@H]3CCCN3Cc3cn(C)c4ccccc34)n2)n1
InChIInChI=1S/C24H26N6/c1-17-7-5-11-23(26-17)28-24-14-25-13-20(27-24)22-10-6-12-30(22)16-18-15-29(2)21-9-4-3-8-19(18)21/h3-5,7-9,11,13-15,22H,6,10,12,16H2,1-2H3,(H,26,27,28)/t22-/m1/s1
InChIKeyMAIZTOAYVHTJRP-JOCHJYFZSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The IUPAC name of 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine (CID 95836361) is 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine.
What is the SMILES notation for 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The canonical SMILES for 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine is Cc1cccc(Nc2cncc([C@H]3CCCN3Cc3cn(C)c4ccccc34)n2)n1.
What is the InChIKey of 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
The InChIKey is MAIZTOAYVHTJRP-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-7-5-11-23(26-17)28-24-14-25-13-20(27-24)22-10-6-12-30(22)16-18-15-29(2)21-9-4-3-8-19(18)21/h3-5,7-9,11,13-15,22H,6,10,12,16H2,1-2H3,(H,26,27,28)/t22-/m1/s1.
What are the key properties of 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine?
6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[(1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 95836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).