N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide

C27H33N7O3S — CID 59612623

IUPACN-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIInChI=1S/C27H33N7O3S/c1-32(38(2,35)36)25-10-4-3-8-21(25)20-28-24-9-7-17-34-26(24)30-27(31-34)29-22-11-13-23(14-12-22)37-19-18-33-15-5-6-16-33/h3-4,7-14,17,28H,5-6,15-16,18-20H2,1-2H3,(H,29,31)
InChIKeyQIFRBZLXSGROBT-UHFFFAOYSA-N
MW535.67 g/mol
LogP3.96
Rot. Bonds11

About N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide

N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 59612623) has the molecular formula C27H33N7O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID59612623
Molecular FormulaC27H33N7O3S
Molecular Weight535.67 g/mol
Exact Mass535.24
IUPAC NameN-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIInChI=1S/C27H33N7O3S/c1-32(38(2,35)36)25-10-4-3-8-21(25)20-28-24-9-7-17-34-26(24)30-27(31-34)29-22-11-13-23(14-12-22)37-19-18-33-15-5-6-16-33/h3-4,7-14,17,28H,5-6,15-16,18-20H2,1-2H3,(H,29,31)
InChIKeyQIFRBZLXSGROBT-UHFFFAOYSA-N
XLogP3.96
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.67
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
N3-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 25154877
5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11237028
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
N3-(2,6-dimethylphenyl)-N6-(3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(3-methoxy-3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 25263033
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
[8-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 67479063
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 67479243
4-(2,3-dihydro-1H-indol-1-yl)-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 891754
1-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1830536
1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
CID 4352236
2-[4-(2-methylpropyl)phenyl]-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46942991

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide (CID 59612623) is N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide is CN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is QIFRBZLXSGROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3S/c1-32(38(2,35)36)25-10-4-3-8-21(25)20-28-24-9-7-17-34-26(24)30-27(31-34)29-22-11-13-23(14-12-22)37-19-18-33-15-5-6-16-33/h3-4,7-14,17,28H,5-6,15-16,18-20H2,1-2H3,(H,29,31).
What are the key properties of N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide?
N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 535.67 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59612623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).