4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine

C18H21FN4O3S — CID 131801159

IUPAC4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
SMILESCCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)
InChIKeyQWDMZDSZMVJFFJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.09
Rot. Bonds4

About 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine

4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine (PubChem CID 131801159) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
PubChem CID131801159
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
SMILESCCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22)
InChIKeyQWDMZDSZMVJFFJ-UHFFFAOYSA-N
XLogP3.09
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine 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-[6-Tert-butylsulfonyl-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
CID 137348872
4-[6-Tert-butylsulfonyl-7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
CID 145949517
4-[6-[(1,1-Dimethylethyl)sulfonyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-pyridinamine
CID 145951857
6-Chloro-4-[6-[(1,1-dimethylethyl)sulfonyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2-pyridinamine
CID 145953336
4-(6-Tert-butylsulfonyl-7-cyclopropyloxyimidazo[1,2-a]pyridin-3-yl)-6-chloropyridin-2-amine
CID 145953717
N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]acetamide
CID 145954933
4-(6-Tert-butylsulfonyl-7-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-6-chloropyridin-2-amine
CID 145955581
4-(6-Tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-chloropyridin-2-amine
CID 145956744
4-[6-Tert-butylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-6-chloropyridin-2-amine
CID 145958105
4-(7-Ethoxy-6-propan-2-ylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine
CID 145959914
N-[3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 145949594
3-(3-Chlorophenyl)-6-[(1,1-dimethylethyl)sulfonyl]-7-methoxyimidazo[1,2-a]pyridine
CID 145955673

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The IUPAC name of 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine (CID 131801159) is 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine is CCOc1cc2ncc(-c3cc(N)nc(F)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
The InChIKey is QWDMZDSZMVJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-5-26-13-8-17-21-9-12(11-6-15(19)22-16(20)7-11)23(17)10-14(13)27(24,25)18(2,3)4/h6-10H,5H2,1-4H3,(H2,20,22).
What are the key properties of 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine?
4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine has a molecular weight of 392.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylsulfonyl-7-ethoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 131801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).