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

C24H24ClN5O2S2 — CID 78427911

IUPAC4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)C3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H24ClN5O2S2/c1-4-20-23(28(2)24-27-21(15-33-24)16-5-8-19(25)9-6-16)30-14-17(7-10-22(30)26-20)18-11-12-29(13-18)34(3,31)32/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyJXUXVLLECYIYMO-UHFFFAOYSA-N
MW514.08 g/mol
LogP5.10
Rot. Bonds6

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

4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427911) has the molecular formula C24H24ClN5O2S2 and a molecular weight of 514.08 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-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-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78427911
Molecular FormulaC24H24ClN5O2S2
Molecular Weight514.08 g/mol
Exact Mass513.11
IUPAC Name4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)C3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C24H24ClN5O2S2/c1-4-20-23(28(2)24-27-21(15-33-24)16-5-8-19(25)9-6-16)30-14-17(7-10-22(30)26-20)18-11-12-29(13-18)34(3,31)32/h5-11,14-15H,4,12-13H2,1-3H3
InChIKeyJXUXVLLECYIYMO-UHFFFAOYSA-N
XLogP5.10
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.08
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-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-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78427911) is 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-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-2,5-dihydropyrrol-3-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-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCN(S(C)(=O)=O)C3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JXUXVLLECYIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2S2/c1-4-20-23(28(2)24-27-21(15-33-24)16-5-8-19(25)9-6-16)30-14-17(7-10-22(30)26-20)18-11-12-29(13-18)34(3,31)32/h5-11,14-15H,4,12-13H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[2-ethyl-6-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 514.08 g/mol, XLogP of 5.10, 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-2,5-dihydropyrrol-3-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).