3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide

C22H22ClN5O2S — CID 90420708

IUPAC3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCO)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C22H22ClN5O2S/c1-3-17-21(28-12-15(6-9-19(28)25-17)20(30)24-10-11-29)27(2)22-26-18(13-31-22)14-4-7-16(23)8-5-14/h4-9,12-13,29H,3,10-11H2,1-2H3,(H,24,30)
InChIKeyAJXBYLMJPOAPRK-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.16
Rot. Bonds7

About 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90420708) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90420708
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC Name3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCO)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C22H22ClN5O2S/c1-3-17-21(28-12-15(6-9-19(28)25-17)20(30)24-10-11-29)27(2)22-26-18(13-31-22)14-4-7-16(23)8-5-14/h4-9,12-13,29H,3,10-11H2,1-2H3,(H,24,30)
InChIKeyAJXBYLMJPOAPRK-UHFFFAOYSA-N
XLogP4.16
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 90420708) is 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCO)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AJXBYLMJPOAPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c1-3-17-21(28-12-15(6-9-19(28)25-17)20(30)24-10-11-29)27(2)22-26-18(13-31-22)14-4-7-16(23)8-5-14/h4-9,12-13,29H,3,10-11H2,1-2H3,(H,24,30).
What are the key properties of 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 455.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-N-(2-hydroxyethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90420708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).