N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

C24H24F2N8O — CID 135262250

IUPACN-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCC(F)(F)CC4)c23)ccn1
InChIInChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35)
InChIKeyCHAIHARSRAHKQQ-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.12
Rot. Bonds6

About N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide

N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (PubChem CID 135262250) has the molecular formula C24H24F2N8O and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
PubChem CID135262250
Molecular FormulaC24H24F2N8O
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC NameN-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCC(F)(F)CC4)c23)ccn1
InChIInChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35)
InChIKeyCHAIHARSRAHKQQ-UHFFFAOYSA-N
XLogP4.12
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide (CID 135262250) is N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nn3ccc(CN4CCC(F)(F)CC4)c23)ccn1.
What is the InChIKey of N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
The InChIKey is CHAIHARSRAHKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35).
What are the key properties of N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide?
N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide has a molecular weight of 478.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 135262250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).