N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide

C17H15N7O2S — CID 135262253

IUPACN-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H15N7O2S/c1-27(25,26)23-15-6-2-4-13(20-15)16-21-17(14-5-3-11-24(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,20,23)(H,18,19,21,22)
InChIKeyVWTONKWHKQFXIR-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.30
Rot. Bonds5

About N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide

N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 135262253) has the molecular formula C17H15N7O2S and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
PubChem CID135262253
Molecular FormulaC17H15N7O2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC NameN-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H15N7O2S/c1-27(25,26)23-15-6-2-4-13(20-15)16-21-17(14-5-3-11-24(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,20,23)(H,18,19,21,22)
InChIKeyVWTONKWHKQFXIR-UHFFFAOYSA-N
XLogP2.30
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide (CID 135262253) is N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.
What is the InChIKey of N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
The InChIKey is VWTONKWHKQFXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2S/c1-27(25,26)23-15-6-2-4-13(20-15)16-21-17(14-5-3-11-24(14)22-16)19-12-7-9-18-10-8-12/h2-11H,1H3,(H,20,23)(H,18,19,21,22).
What are the key properties of N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide?
N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide has a molecular weight of 381.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 135262253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).