[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone

C22H27N5O2 — CID 56861740

IUPAC[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1[nH]c2c(CNc3cncc(C(=O)N4CCOCC4)n3)cc(C)cc2c1C
InChIInChI=1S/C22H27N5O2/c1-4-18-15(3)17-10-14(2)9-16(21(17)26-18)11-24-20-13-23-12-19(25-20)22(28)27-5-7-29-8-6-27/h9-10,12-13,26H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyBEWCCENQJWLZJD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.22
Rot. Bonds5

About [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone

[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 56861740) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID56861740
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCCc1[nH]c2c(CNc3cncc(C(=O)N4CCOCC4)n3)cc(C)cc2c1C
InChIInChI=1S/C22H27N5O2/c1-4-18-15(3)17-10-14(2)9-16(21(17)26-18)11-24-20-13-23-12-19(25-20)22(28)27-5-7-29-8-6-27/h9-10,12-13,26H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyBEWCCENQJWLZJD-UHFFFAOYSA-N
XLogP3.22
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 56861740) is [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone is CCc1[nH]c2c(CNc3cncc(C(=O)N4CCOCC4)n3)cc(C)cc2c1C.
What is the InChIKey of [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is BEWCCENQJWLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-18-15(3)17-10-14(2)9-16(21(17)26-18)11-24-20-13-23-12-19(25-20)22(28)27-5-7-29-8-6-27/h9-10,12-13,26H,4-8,11H2,1-3H3,(H,24,25).
What are the key properties of [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone?
[6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 393.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methylamino]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56861740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).