2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H27N7O2 — CID 135262330

IUPAC2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3OCCCN3CCOCC3)c3cccn3n2)n1
InChIInChI=1S/C24H27N7O2/c1-18-5-2-6-20(26-18)23-28-24(21-7-3-11-31(21)29-23)27-19-8-9-25-17-22(19)33-14-4-10-30-12-15-32-16-13-30/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H,25,27,28,29)
InChIKeyMOBQPEPZKOOZLN-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.34
Rot. Bonds8

About 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262330) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262330
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3OCCCN3CCOCC3)c3cccn3n2)n1
InChIInChI=1S/C24H27N7O2/c1-18-5-2-6-20(26-18)23-28-24(21-7-3-11-31(21)29-23)27-19-8-9-25-17-22(19)33-14-4-10-30-12-15-32-16-13-30/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H,25,27,28,29)
InChIKeyMOBQPEPZKOOZLN-UHFFFAOYSA-N
XLogP3.34
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262330) is 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cccc(-c2nc(Nc3ccncc3OCCCN3CCOCC3)c3cccn3n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MOBQPEPZKOOZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-18-5-2-6-20(26-18)23-28-24(21-7-3-11-31(21)29-23)27-19-8-9-25-17-22(19)33-14-4-10-30-12-15-32-16-13-30/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H,25,27,28,29).
What are the key properties of 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 445.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).