2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine

C19H22N6O — CID 146601490

IUPAC2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine
SMILESNc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nn1)C3
InChIInChI=1S/C19H22N6O/c20-13-1-2-14-15-12-25(6-5-16(15)21-17(14)11-13)19-4-3-18(22-23-19)24-7-9-26-10-8-24/h1-4,11,21H,5-10,12,20H2
InChIKeyVWVDHNURCMYAAL-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.94
Rot. Bonds2

About 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine

2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine (PubChem CID 146601490) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine.

Molecular Properties

Compound Name2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine
PubChem CID146601490
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine
SMILESNc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nn1)C3
InChIInChI=1S/C19H22N6O/c20-13-1-2-14-15-12-25(6-5-16(15)21-17(14)11-13)19-4-3-18(22-23-19)24-7-9-26-10-8-24/h1-4,11,21H,5-10,12,20H2
InChIKeyVWVDHNURCMYAAL-UHFFFAOYSA-N
XLogP1.94
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine?
The IUPAC name of 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine (CID 146601490) is 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine.
What is the SMILES notation for 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine?
The canonical SMILES for 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine is Nc1ccc2c3c([nH]c2c1)CCN(c1ccc(N2CCOCC2)nn1)C3.
What is the InChIKey of 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine?
The InChIKey is VWVDHNURCMYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-13-1-2-14-15-12-25(6-5-16(15)21-17(14)11-13)19-4-3-18(22-23-19)24-7-9-26-10-8-24/h1-4,11,21H,5-10,12,20H2.
What are the key properties of 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine?
2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine has a molecular weight of 350.43 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine is sourced from PubChem (CID 146601490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).