N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide

C24H26N8O2S — CID 67498556

IUPACN-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCC1c2nnc(C)n2-c2cnc(-c3ccncc3NS(=O)(=O)c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C24H26N8O2S/c1-5-20-24-29-28-16(4)32(24)21-14-26-22(27-23(21)31(20)15(2)3)18-11-12-25-13-19(18)30-35(33,34)17-9-7-6-8-10-17/h6-15,20,30H,5H2,1-4H3
InChIKeyVBMPGQVRKGJZMT-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.91
Rot. Bonds6

About N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide

N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 67498556) has the molecular formula C24H26N8O2S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID67498556
Molecular FormulaC24H26N8O2S
Molecular Weight490.59 g/mol
Exact Mass490.19
IUPAC NameN-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide
SMILESCCC1c2nnc(C)n2-c2cnc(-c3ccncc3NS(=O)(=O)c3ccccc3)nc2N1C(C)C
InChIInChI=1S/C24H26N8O2S/c1-5-20-24-29-28-16(4)32(24)21-14-26-22(27-23(21)31(20)15(2)3)18-11-12-25-13-19(18)30-35(33,34)17-9-7-6-8-10-17/h6-15,20,30H,5H2,1-4H3
InChIKeyVBMPGQVRKGJZMT-UHFFFAOYSA-N
XLogP3.91
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

(7R)-2-(3-amino-4-pyridinyl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;benzenesulfonyl chloride;N-[4-[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 158418365
tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
CID 140580364
(4R)-7-[3-[2-(benzenesulfonyl)ethyl]-4-pyridinyl]-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 161366009
(4R)-7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979848
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 72863472
tert-butyl N-[4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
CID 67500128
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 90626836
(4R)-5-cyclobutyl-4-ethyl-1-methyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979430
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide (CID 67498556) is N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide is CCC1c2nnc(C)n2-c2cnc(-c3ccncc3NS(=O)(=O)c3ccccc3)nc2N1C(C)C.
What is the InChIKey of N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VBMPGQVRKGJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2S/c1-5-20-24-29-28-16(4)32(24)21-14-26-22(27-23(21)31(20)15(2)3)18-11-12-25-13-19(18)30-35(33,34)17-9-7-6-8-10-17/h6-15,20,30H,5H2,1-4H3.
What are the key properties of N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide?
N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 490.59 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 67498556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).