[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone

C29H30N4OS — CID 4027799

IUPAC[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1nc2ccccn2c1-c1nc(CCC2CCCCC2)c(C(=O)c2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C29H30N4OS/c1-18-25(21-12-6-7-13-22(21)30-18)27(34)28-23(16-15-20-10-4-3-5-11-20)32-29(35-28)26-19(2)31-24-14-8-9-17-33(24)26/h6-9,12-14,17,20,30H,3-5,10-11,15-16H2,1-2H3
InChIKeyONGRRXHEUNABKG-UHFFFAOYSA-N
MW482.65 g/mol
LogP7.30
Rot. Bonds6

About [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone

[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone (PubChem CID 4027799) has the molecular formula C29H30N4OS and a molecular weight of 482.65 g/mol. Its IUPAC name is [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
PubChem CID4027799
Molecular FormulaC29H30N4OS
Molecular Weight482.65 g/mol
Exact Mass482.21
IUPAC Name[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone
SMILESCc1nc2ccccn2c1-c1nc(CCC2CCCCC2)c(C(=O)c2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C29H30N4OS/c1-18-25(21-12-6-7-13-22(21)30-18)27(34)28-23(16-15-20-10-4-3-5-11-20)32-29(35-28)26-19(2)31-24-14-8-9-17-33(24)26/h6-9,12-14,17,20,30H,3-5,10-11,15-16H2,1-2H3
InChIKeyONGRRXHEUNABKG-UHFFFAOYSA-N
XLogP7.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone (CID 4027799) is [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone is Cc1nc2ccccn2c1-c1nc(CCC2CCCCC2)c(C(=O)c2c(C)[nH]c3ccccc23)s1.
What is the InChIKey of [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
The InChIKey is ONGRRXHEUNABKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4OS/c1-18-25(21-12-6-7-13-22(21)30-18)27(34)28-23(16-15-20-10-4-3-5-11-20)32-29(35-28)26-19(2)31-24-14-8-9-17-33(24)26/h6-9,12-14,17,20,30H,3-5,10-11,15-16H2,1-2H3.
What are the key properties of [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone?
[4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone has a molecular weight of 482.65 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylethyl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-5-yl]-(2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 4027799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).