8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C25H28N6O3S — CID 67478884

IUPAC8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCS(=O)(=O)c1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12
InChIInChI=1S/C25H28N6O3S/c1-35(32,33)23-9-3-2-7-21(23)27-22-8-6-16-31-24(22)28-25(29-31)26-19-10-12-20(13-11-19)34-18-17-30-14-4-5-15-30/h2-3,6-13,16,27H,4-5,14-15,17-18H2,1H3,(H,26,29)
InChIKeyYVVVSDDXNQYXEB-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.09
Rot. Bonds9

About 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 67478884) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID67478884
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC Name8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCS(=O)(=O)c1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12
InChIInChI=1S/C25H28N6O3S/c1-35(32,33)23-9-3-2-7-21(23)27-22-8-6-16-31-24(22)28-25(29-31)26-19-10-12-20(13-11-19)34-18-17-30-14-4-5-15-30/h2-3,6-13,16,27H,4-5,14-15,17-18H2,1H3,(H,26,29)
InChIKeyYVVVSDDXNQYXEB-UHFFFAOYSA-N
XLogP4.09
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine with MolForge

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Related Compounds

[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 67479243
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2-methoxy-phenyl)-amine
CID 57502380
8-(1,1-dioxidothiomorpholin-4-yl)-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 49838519
[8-(4-Methanesulfonyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 49838520
[5-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 59590148
N-Methyl-N-(3-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-benzyl)-methanesulfonamide
CID 59612481
N(8)-Pyridin-3-ylmethyl-N(2)-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 59612555
N-Methyl-N-(2-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-benzyl)-methanesulfonamide
CID 59612604
N-Methyl-N-[2-({2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-[1,2,4]triazolo[1,5-a]pyridin-8-ylamino}-methyl)-phenyl]-methanesulfonamide
CID 59612623
N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide
CID 59612625
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-morpholin-4-yl-ethoxy)-phenyl]-amine
CID 67478913

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 67478884) is 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is CS(=O)(=O)c1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12.
What is the InChIKey of 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is YVVVSDDXNQYXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-35(32,33)23-9-3-2-7-21(23)27-22-8-6-16-31-24(22)28-25(29-31)26-19-10-12-20(13-11-19)34-18-17-30-14-4-5-15-30/h2-3,6-13,16,27H,4-5,14-15,17-18H2,1H3,(H,26,29).
What are the key properties of 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 492.61 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-methylsulfonylphenyl)-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 67478884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).