benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate

C28H27N7O4S — CID 150543572

IUPACbenzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate
SMILESO=C(NCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1)OCc1ccccc1
InChIInChI=1S/C28H27N7O4S/c36-28(39-20-21-7-2-1-3-8-21)30-15-6-16-32-40(37,38)23-12-10-22(11-13-23)33-27-29-17-14-24(34-27)25-19-31-26-9-4-5-18-35(25)26/h1-5,7-14,17-19,32H,6,15-16,20H2,(H,30,36)(H,29,33,34)
InChIKeyIGJWHWLOMBJZAQ-UHFFFAOYSA-N
MW557.64 g/mol
LogP4.13
Rot. Bonds11

About benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate

benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate (PubChem CID 150543572) has the molecular formula C28H27N7O4S and a molecular weight of 557.64 g/mol. Its IUPAC name is benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate
PubChem CID150543572
Molecular FormulaC28H27N7O4S
Molecular Weight557.64 g/mol
Exact Mass557.18
IUPAC Namebenzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate
SMILESO=C(NCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1)OCc1ccccc1
InChIInChI=1S/C28H27N7O4S/c36-28(39-20-21-7-2-1-3-8-21)30-15-6-16-32-40(37,38)23-12-10-22(11-13-23)33-27-29-17-14-24(34-27)25-19-31-26-9-4-5-18-35(25)26/h1-5,7-14,17-19,32H,6,15-16,20H2,(H,30,36)(H,29,33,34)
InChIKeyIGJWHWLOMBJZAQ-UHFFFAOYSA-N
XLogP4.13
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.64
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate 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

4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-(3-methoxypropyl)benzenesulfonamide
CID 6539026
4-[(4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-yl)amino]-N-(2-methoxyethyl)benzenesulfonamide
CID 170987320
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297
[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanol
CID 122429884
1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 57490534
N-(2-methoxyethyl)-4-[[4-[2-(methoxymethyl)-3-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 69314380
N-[3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]formamide
CID 122425064
N-(2-ethoxyethyl)-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 24887950
4-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526022
4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 155573015
N-(cyclopropylmethyl)-4-[[4-(2,3-dimethylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 10294302

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate (CID 150543572) is benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate is O=C(NCCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate?
The InChIKey is IGJWHWLOMBJZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O4S/c36-28(39-20-21-7-2-1-3-8-21)30-15-6-16-32-40(37,38)23-12-10-22(11-13-23)33-27-29-17-14-24(34-27)25-19-31-26-9-4-5-18-35(25)26/h1-5,7-14,17-19,32H,6,15-16,20H2,(H,30,36)(H,29,33,34).
What are the key properties of benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate?
benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate has a molecular weight of 557.64 g/mol, XLogP of 4.13, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]sulfonylamino]propyl]carbamate is sourced from PubChem (CID 150543572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).