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

C25H27FN8O — CID 126499735

IUPAC4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)ccc1F
InChIInChI=1S/C25H27FN8O/c1-17-19(26)7-8-21(29-17)23-31-24(22-6-5-14-34(22)32-23)30-20-9-10-27-16-18(20)25(35)28-11-15-33-12-3-2-4-13-33/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,28,35)(H,27,30,31,32)
InChIKeyVRYVVCLIGVDPTC-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.59
Rot. Bonds7

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

4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 126499735) has the molecular formula C25H27FN8O and a molecular weight of 474.54 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-(2-piperidin-1-ylethyl)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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID126499735
Molecular FormulaC25H27FN8O
Molecular Weight474.54 g/mol
Exact Mass474.23
IUPAC Name4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)c3cccn3n2)ccc1F
InChIInChI=1S/C25H27FN8O/c1-17-19(26)7-8-21(29-17)23-31-24(22-6-5-14-34(22)32-23)30-20-9-10-27-16-18(20)25(35)28-11-15-33-12-3-2-4-13-33/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,28,35)(H,27,30,31,32)
InChIKeyVRYVVCLIGVDPTC-UHFFFAOYSA-N
XLogP3.59
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)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-(2-piperidin-1-ylethyl)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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 126499735) is 4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)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-(2-piperidin-1-ylethyl)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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is Cc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCCCC3)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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is VRYVVCLIGVDPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O/c1-17-19(26)7-8-21(29-17)23-31-24(22-6-5-14-34(22)32-23)30-20-9-10-27-16-18(20)25(35)28-11-15-33-12-3-2-4-13-33/h5-10,14,16H,2-4,11-13,15H2,1H3,(H,28,35)(H,27,30,31,32).
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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 3.59, 7 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-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126499735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).