3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine

C41H41ClF2N10O2S3 — CID 162201174

IUPAC3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCCc1nc2ccc(N)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(NS(=O)(=O)CCCCl)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H23ClFN5O2S2.C19H18FN5S/c1-3-18-21(28(2)22-26-19(14-32-22)15-5-7-16(24)8-6-15)29-13-17(9-10-20(29)25-18)27-33(30,31)12-4-11-23;1-3-15-18(25-10-14(21)8-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-6-13(20)7-5-12/h5-10,13-14,27H,3-4,11-12H2,1-2H3;4-11H,3,21H2,1-2H3
InChIKeyZRPHMSOHSIVLIB-UHFFFAOYSA-N
MW875.50 g/mol
LogP9.81
Rot. Bonds13

About 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine

3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine (PubChem CID 162201174) has the molecular formula C41H41ClF2N10O2S3 and a molecular weight of 875.50 g/mol. Its IUPAC name is 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine.

Molecular Properties

Compound Name3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine
PubChem CID162201174
Molecular FormulaC41H41ClF2N10O2S3
Molecular Weight875.50 g/mol
Exact Mass874.22
IUPAC Name3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCCc1nc2ccc(N)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(NS(=O)(=O)CCCCl)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C22H23ClFN5O2S2.C19H18FN5S/c1-3-18-21(28(2)22-26-19(14-32-22)15-5-7-16(24)8-6-15)29-13-17(9-10-20(29)25-18)27-33(30,31)12-4-11-23;1-3-15-18(25-10-14(21)8-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-6-13(20)7-5-12/h5-10,13-14,27H,3-4,11-12H2,1-2H3;4-11H,3,21H2,1-2H3
InChIKeyZRPHMSOHSIVLIB-UHFFFAOYSA-N
XLogP9.81
TPSA139.05 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500875.50
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine?
The IUPAC name of 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine (CID 162201174) is 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine.
What is the SMILES notation for 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine?
The canonical SMILES for 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine is CCc1nc2ccc(N)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(NS(=O)(=O)CCCCl)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine?
The InChIKey is ZRPHMSOHSIVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O2S2.C19H18FN5S/c1-3-18-21(28(2)22-26-19(14-32-22)15-5-7-16(24)8-6-15)29-13-17(9-10-20(29)25-18)27-33(30,31)12-4-11-23;1-3-15-18(25-10-14(21)8-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-6-13(20)7-5-12/h5-10,13-14,27H,3-4,11-12H2,1-2H3;4-11H,3,21H2,1-2H3.
What are the key properties of 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine?
3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine has a molecular weight of 875.50 g/mol, XLogP of 9.81, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]propane-1-sulfonamide;2-ethyl-3-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-N-methylimidazo[1,2-a]pyridine-3,6-diamine is sourced from PubChem (CID 162201174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).