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

C24H25FN8O3S — CID 126499607

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCS(=O)(=O)CC3)c3cccn3n2)ccc1F
InChIInChI=1S/C24H25FN8O3S/c1-16-18(25)4-5-20(28-16)22-30-23(21-3-2-9-33(21)31-22)29-19-6-7-26-15-17(19)24(34)27-8-10-32-11-13-37(35,36)14-12-32/h2-7,9,15H,8,10-14H2,1H3,(H,27,34)(H,26,29,30,31)
InChIKeyJHAAIKKZCDBRGN-UHFFFAOYSA-N
MW524.58 g/mol
LogP1.84
Rot. Bonds7

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

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 126499607) has the molecular formula C24H25FN8O3S and a molecular weight of 524.58 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
PubChem CID126499607
Molecular FormulaC24H25FN8O3S
Molecular Weight524.58 g/mol
Exact Mass524.18
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCS(=O)(=O)CC3)c3cccn3n2)ccc1F
InChIInChI=1S/C24H25FN8O3S/c1-16-18(25)4-5-20(28-16)22-30-23(21-3-2-9-33(21)31-22)29-19-6-7-26-15-17(19)24(34)27-8-10-32-11-13-37(35,36)14-12-32/h2-7,9,15H,8,10-14H2,1H3,(H,27,34)(H,26,29,30,31)
InChIKeyJHAAIKKZCDBRGN-UHFFFAOYSA-N
XLogP1.84
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (CID 126499607) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is Cc1nc(-c2nc(Nc3ccncc3C(=O)NCCN3CCS(=O)(=O)CC3)c3cccn3n2)ccc1F.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is JHAAIKKZCDBRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O3S/c1-16-18(25)4-5-20(28-16)22-30-23(21-3-2-9-33(21)31-22)29-19-6-7-26-15-17(19)24(34)27-8-10-32-11-13-37(35,36)14-12-32/h2-7,9,15H,8,10-14H2,1H3,(H,27,34)(H,26,29,30,31).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[[2-(5-fluoro-6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 126499607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).