N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C20H17N5O4S — CID 71728282

IUPACN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)nc2)c1
InChIInChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(9-16)30(27,28)18-6-5-15(22-12-18)11-23-19(26)14-10-24-20-21-7-8-25(20)13-14/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyQMVSUTIKASOKDS-UHFFFAOYSA-N
MW423.45 g/mol
LogP1.90
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 71728282) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID71728282
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)nc2)c1
InChIInChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(9-16)30(27,28)18-6-5-15(22-12-18)11-23-19(26)14-10-24-20-21-7-8-25(20)13-14/h2-10,12-13H,11H2,1H3,(H,23,26)
InChIKeyQMVSUTIKASOKDS-UHFFFAOYSA-N
XLogP1.90
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide 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

1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
CID 126720428
N-[5-[7-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]-3-pyridinyl]benzenesulfonamide
CID 56673435
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 162655699
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71726493
N-[[5-[3-(trifluoromethoxy)phenyl]sulfinylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793531
N-[[5-[3-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793550
N-[[5-(3,4-dimethoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 89793551
N-[[5-[3-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 118193527
N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 118193530
N-{imidazo[1,2-a]pyridin-6-ylmethyl}-4-[(3-methoxybenzene)sulfonyl]benzamide
CID 89845386
7-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 171358526
CID 134789346
CID 134789346

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 71728282) is N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is COc1cccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)nc2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is QMVSUTIKASOKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-29-16-3-2-4-17(9-16)30(27,28)18-6-5-15(22-12-18)11-23-19(26)14-10-24-20-21-7-8-25(20)13-14/h2-10,12-13H,11H2,1H3,(H,23,26).
What are the key properties of N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71728282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).