N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine

C26H30FN5O2S2 — CID 90446854

IUPACN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-24(17(2)35-26)19-6-9-21(27)10-7-19)32-16-20(8-11-23(32)28-22)18-12-14-31(15-13-18)36(4,33)34/h6-11,16,18H,5,12-15H2,1-4H3
InChIKeyFULDSPKQUPKPFG-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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine

N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 90446854) 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-fluorophenyl)-N,5-dimethyl-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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
PubChem CID90446854
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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-24(17(2)35-26)19-6-9-21(27)10-7-19)32-16-20(8-11-23(32)28-22)18-12-14-31(15-13-18)36(4,33)34/h6-11,16,18H,5,12-15H2,1-4H3
InChIKeyFULDSPKQUPKPFG-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

Analyze N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine with MolForge

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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-fluorophenyl)-N,5-dimethyl-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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (CID 90446854) is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-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-fluorophenyl)-N,5-dimethyl-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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C)s1.
What is the InChIKey of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is FULDSPKQUPKPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2S2/c1-5-22-25(30(3)26-29-24(17(2)35-26)19-6-9-21(27)10-7-19)32-16-20(8-11-23(32)28-22)18-12-14-31(15-13-18)36(4,33)34/h6-11,16,18H,5,12-15H2,1-4H3.
What are the key properties of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N,5-dimethyl-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-fluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).