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

C25H26ClN5O2S2 — CID 78427394

IUPAC4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3
InChIKeyHAPNIGCORXRNGZ-UHFFFAOYSA-N
MW528.10 g/mol
LogP5.49
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427394) 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-3,6-dihydro-2H-pyridin-4-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-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78427394
Molecular FormulaC25H26ClN5O2S2
Molecular Weight528.10 g/mol
Exact Mass527.12
IUPAC Name4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3
InChIKeyHAPNIGCORXRNGZ-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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5-[5-(4-Chlorophenyl)sulfanyl-1-methyl-2-pyridin-2-ylimidazol-4-yl]-2-methylsulfonylpyridine
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-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-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78427394) is 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-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-3,6-dihydro-2H-pyridin-4-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-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HAPNIGCORXRNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2S2/c1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-11,15-16H,4,12-14H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-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 5.49, 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-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).