1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol

C24H26FN7O — CID 126484380

IUPAC1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol
SMILESOC1(CCNCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CCCC1
InChIInChI=1S/C24H26FN7O/c25-18-16-26-12-6-19(18)29-23-21-17(15-27-13-10-24(33)8-2-3-9-24)7-14-32(21)31-22(30-23)20-5-1-4-11-28-20/h1,4-7,11-12,14,16,27,33H,2-3,8-10,13,15H2,(H,26,29,30,31)
InChIKeyFOVQNHTXUOXIEW-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.85
Rot. Bonds8

About 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol

1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol (PubChem CID 126484380) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol
PubChem CID126484380
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol
SMILESOC1(CCNCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CCCC1
InChIInChI=1S/C24H26FN7O/c25-18-16-26-12-6-19(18)29-23-21-17(15-27-13-10-24(33)8-2-3-9-24)7-14-32(21)31-22(30-23)20-5-1-4-11-28-20/h1,4-7,11-12,14,16,27,33H,2-3,8-10,13,15H2,(H,26,29,30,31)
InChIKeyFOVQNHTXUOXIEW-UHFFFAOYSA-N
XLogP3.85
TPSA100.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol (CID 126484380) is 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol is OC1(CCNCc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CCCC1.
What is the InChIKey of 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol?
The InChIKey is FOVQNHTXUOXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c25-18-16-26-12-6-19(18)29-23-21-17(15-27-13-10-24(33)8-2-3-9-24)7-14-32(21)31-22(30-23)20-5-1-4-11-28-20/h1,4-7,11-12,14,16,27,33H,2-3,8-10,13,15H2,(H,26,29,30,31).
What are the key properties of 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol?
1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol has a molecular weight of 447.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 126484380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).