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

C28H35N7O3S — CID 67479082

IUPACN-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCC4CCCN4)cc3)nc12)S(C)(=O)=O
InChIInChI=1S/C28H35N7O3S/c1-34(39(2,36)37)20-22-8-4-3-7-21(22)19-30-26-10-6-17-35-27(26)32-28(33-35)31-24-11-13-25(14-12-24)38-18-15-23-9-5-16-29-23/h3-4,6-8,10-14,17,23,29-30H,5,9,15-16,18-20H2,1-2H3,(H,31,33)
InChIKeyIHCUVFJLLRLBQC-UHFFFAOYSA-N
MW549.70 g/mol
LogP4.00
Rot. Bonds12

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

N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide (PubChem CID 67479082) has the molecular formula C28H35N7O3S and a molecular weight of 549.70 g/mol. Its IUPAC name is N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide
PubChem CID67479082
Molecular FormulaC28H35N7O3S
Molecular Weight549.70 g/mol
Exact Mass549.25
IUPAC NameN-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide
SMILESCN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCC4CCCN4)cc3)nc12)S(C)(=O)=O
InChIInChI=1S/C28H35N7O3S/c1-34(39(2,36)37)20-22-8-4-3-7-21(22)19-30-26-10-6-17-35-27(26)32-28(33-35)31-24-11-13-25(14-12-24)38-18-15-23-9-5-16-29-23/h3-4,6-8,10-14,17,23,29-30H,5,9,15-16,18-20H2,1-2H3,(H,31,33)
InChIKeyIHCUVFJLLRLBQC-UHFFFAOYSA-N
XLogP4.00
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.70
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-methyl-N-[3-[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-2-pyridinyl]methanesulfonamide
CID 67478760
N-methyl-N-[[2-[[2-[4-(1-methylpiperidin-4-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]phenyl]methyl]methanesulfonamide
CID 59612594
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
CID 67479148
8-bromo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 104973459
3-[[5-methyl-2-[4-(2-pyrrolidin-2-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide;hydrate;dihydrochloride
CID 173499962
N-[4-[2-(azepan-2-yl)ethoxy]phenyl]-6-(2-chlorophenyl)quinazolin-2-amine
CID 141273192
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
N-(2-piperidin-2-ylethyl)-4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 121434885
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide (CID 67479082) is N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide is CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCC4CCCN4)cc3)nc12)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is IHCUVFJLLRLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3S/c1-34(39(2,36)37)20-22-8-4-3-7-21(22)19-30-26-10-6-17-35-27(26)32-28(33-35)31-24-11-13-25(14-12-24)38-18-15-23-9-5-16-29-23/h3-4,6-8,10-14,17,23,29-30H,5,9,15-16,18-20H2,1-2H3,(H,31,33).
What are the key properties of N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide?
N-methyl-N-[[2-[[[2-[4-(2-pyrrolidin-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 549.70 g/mol, XLogP of 4.00, 12 rotatable bonds, 3 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-2-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 67479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).