N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine

C26H30FN5O2S2 — CID 78426571

IUPACN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C)cs1
InChIInChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-23(16-35-26)21-8-7-20(27)14-17(21)2)32-15-19(6-9-24(32)28-22)18-10-12-31(13-11-18)36(4,33)34/h6-9,14-16,18H,5,10-13H2,1-4H3
InChIKeyFZCPDWWAPWDXCR-UHFFFAOYSA-N
MW527.69 g/mol
LogP5.37
Rot. Bonds6

About N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426571) has the molecular formula C26H30FN5O2S2 and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID78426571
Molecular FormulaC26H30FN5O2S2
Molecular Weight527.69 g/mol
Exact Mass527.18
IUPAC NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C)cs1
InChIInChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-23(16-35-26)21-8-7-20(27)14-17(21)2)32-15-19(6-9-24(32)28-22)18-10-12-31(13-11-18)36(4,33)34/h6-9,14-16,18H,5,10-13H2,1-4H3
InChIKeyFZCPDWWAPWDXCR-UHFFFAOYSA-N
XLogP5.37
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.69
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine (CID 78426571) is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2C)cs1.
What is the InChIKey of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FZCPDWWAPWDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-23(16-35-26)21-8-7-20(27)14-17(21)2)32-15-19(6-9-24(32)28-22)18-10-12-31(13-11-18)36(4,33)34/h6-9,14-16,18H,5,10-13H2,1-4H3.
What are the key properties of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 527.69 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluoro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78426571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).