5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide

C23H19N7O2S — CID 90386122

IUPAC5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cn1
InChIInChI=1S/C23H19N7O2S/c24-33(31,32)20-10-9-17(14-26-20)22-28-23(27-15-18-8-4-5-12-25-18)21-19(11-13-30(21)29-22)16-6-2-1-3-7-16/h1-14H,15H2,(H2,24,31,32)(H,27,28,29)
InChIKeyNOVHIAIYOAYYDN-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.11
Rot. Bonds6

About 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide

5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide (PubChem CID 90386122) has the molecular formula C23H19N7O2S and a molecular weight of 457.52 g/mol. Its IUPAC name is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide
PubChem CID90386122
Molecular FormulaC23H19N7O2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cn1
InChIInChI=1S/C23H19N7O2S/c24-33(31,32)20-10-9-17(14-26-20)22-28-23(27-15-18-8-4-5-12-25-18)21-19(11-13-30(21)29-22)16-6-2-1-3-7-16/h1-14H,15H2,(H2,24,31,32)(H,27,28,29)
InChIKeyNOVHIAIYOAYYDN-UHFFFAOYSA-N
XLogP3.11
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-methoxy-5-methylsulfonyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 118124133
5-phenyl-2-(1H-pyrazol-5-yl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90395153
1-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]ethanone
CID 118124012
5-[5-phenyl-4-(pyrazin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 90395165
N-[3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]acetamide
CID 78324895
2,5-bis(5-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 78321149
5-[5-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-sulfonamide
CID 90386121
2-chloro-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloro-5-phenylpyrrolo[2,1-f][1,2,4]triazine;pyridin-2-ylmethanamine
CID 159965413
ethyl 2-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-3-pyridinyl]sulfanylamino]acetate
CID 144706569
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
bis(2,5-bis(6-methoxy-3-pyridinyl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine);2,5-dichloro-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;(6-methoxy-3-pyridinyl)boronic acid
CID 159977408
5-[2-(5-amino-3-pyridinyl)-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyridine-3-carbonitrile
CID 78321150

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide (CID 90386122) is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)ccn3n2)cn1.
What is the InChIKey of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide?
The InChIKey is NOVHIAIYOAYYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2S/c24-33(31,32)20-10-9-17(14-26-20)22-28-23(27-15-18-8-4-5-12-25-18)21-19(11-13-30(21)29-22)16-6-2-1-3-7-16/h1-14H,15H2,(H2,24,31,32)(H,27,28,29).
What are the key properties of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide?
5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide has a molecular weight of 457.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 90386122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).