4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

C26H29FN8O — CID 135271415

IUPAC4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCCC3)c3cccn3n2)ccc1F
InChIInChI=1S/C26H29FN8O/c1-18-20(27)8-9-22(30-18)24-32-25(23-7-5-16-35(23)33-24)31-21-10-12-28-17-19(21)26(36)29-11-6-15-34-13-3-2-4-14-34/h5,7-10,12,16-17H,2-4,6,11,13-15H2,1H3,(H,29,36)(H,28,31,32,33)
InChIKeyAIJMLBAFQRXTMX-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.98
Rot. Bonds8

About 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide

4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 135271415) has the molecular formula C26H29FN8O and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID135271415
Molecular FormulaC26H29FN8O
Molecular Weight488.57 g/mol
Exact Mass488.24
IUPAC Name4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCCC3)c3cccn3n2)ccc1F
InChIInChI=1S/C26H29FN8O/c1-18-20(27)8-9-22(30-18)24-32-25(23-7-5-16-35(23)33-24)31-21-10-12-28-17-19(21)26(36)29-11-6-15-34-13-3-2-4-14-34/h5,7-10,12,16-17H,2-4,6,11,13-15H2,1H3,(H,29,36)(H,28,31,32,33)
InChIKeyAIJMLBAFQRXTMX-UHFFFAOYSA-N
XLogP3.98
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 135271415) is 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is Cc1nc(-c2nc(Nc3ccncc3C(=O)NCCCN3CCCCC3)c3cccn3n2)ccc1F.
What is the InChIKey of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is AIJMLBAFQRXTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O/c1-18-20(27)8-9-22(30-18)24-32-25(23-7-5-16-35(23)33-24)31-21-10-12-28-17-19(21)26(36)29-11-6-15-34-13-3-2-4-14-34/h5,7-10,12,16-17H,2-4,6,11,13-15H2,1H3,(H,29,36)(H,28,31,32,33).
What are the key properties of 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide?
4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 135271415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).