4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

C25H26ClN5O2S2 — CID 78426137

IUPAC4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CN(S(C)(=O)=O)CCC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)17-7-10-20(26)11-8-17)31-15-19(9-12-23(31)27-21)18-6-5-13-30(14-18)35(3,32)33/h7-12,14-16H,4-6,13H2,1-3H3
InChIKeyDGEFAMKXNPOXLJ-UHFFFAOYSA-N
MW528.10 g/mol
LogP5.84
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426137) has the molecular formula C25H26ClN5O2S2 and a molecular weight of 528.10 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78426137
Molecular FormulaC25H26ClN5O2S2
Molecular Weight528.10 g/mol
Exact Mass527.12
IUPAC Name4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CN(S(C)(=O)=O)CCC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)17-7-10-20(26)11-8-17)31-15-19(9-12-23(31)27-21)18-6-5-13-30(14-18)35(3,32)33/h7-12,14-16H,4-6,13H2,1-3H3
InChIKeyDGEFAMKXNPOXLJ-UHFFFAOYSA-N
XLogP5.84
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.10
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78426137) is 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CN(S(C)(=O)=O)CCC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DGEFAMKXNPOXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)17-7-10-20(26)11-8-17)31-15-19(9-12-23(31)27-21)18-6-5-13-30(14-18)35(3,32)33/h7-12,14-16H,4-6,13H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 528.10 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78426137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).