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

C26H28F3N5O2S2 — CID 90420330

IUPACN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C26H28F3N5O2S2/c1-4-21-24(32(2)25-31-22(16-37-25)18-5-8-20(9-6-18)26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)38(3,35)36/h5-10,15-17H,4,11-14H2,1-3H3
InChIKeyNHPZKKKSCYVHAN-UHFFFAOYSA-N
MW563.67 g/mol
LogP5.95
Rot. Bonds6

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

N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 90420330) has the molecular formula C26H28F3N5O2S2 and a molecular weight of 563.67 g/mol. Its IUPAC name is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID90420330
Molecular FormulaC26H28F3N5O2S2
Molecular Weight563.67 g/mol
Exact Mass563.16
IUPAC NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C26H28F3N5O2S2/c1-4-21-24(32(2)25-31-22(16-37-25)18-5-8-20(9-6-18)26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)38(3,35)36/h5-10,15-17H,4,11-14H2,1-3H3
InChIKeyNHPZKKKSCYVHAN-UHFFFAOYSA-N
XLogP5.95
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.67
LogP ≤ 55.95
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]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 90420330) is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-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]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is NHPZKKKSCYVHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2S2/c1-4-21-24(32(2)25-31-22(16-37-25)18-5-8-20(9-6-18)26(27,28)29)34-15-19(7-10-23(34)30-21)17-11-13-33(14-12-17)38(3,35)36/h5-10,15-17H,4,11-14H2,1-3H3.
What are the key properties of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 563.67 g/mol, XLogP of 5.95, 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]-N-methyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90420330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).