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

C25H27F2N5O2S2 — CID 78426572

IUPAC4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)19-7-6-18(26)13-20(19)27)32-14-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyIATAMRTZRQRCPO-UHFFFAOYSA-N
MW531.65 g/mol
LogP5.21
Rot. Bonds6

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

4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426572) has the molecular formula C25H27F2N5O2S2 and a molecular weight of 531.65 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78426572
Molecular FormulaC25H27F2N5O2S2
Molecular Weight531.65 g/mol
Exact Mass531.16
IUPAC Name4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2F)cs1
InChIInChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)19-7-6-18(26)13-20(19)27)32-14-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13-16H,4,9-12H2,1-3H3
InChIKeyIATAMRTZRQRCPO-UHFFFAOYSA-N
XLogP5.21
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.65
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78426572) is 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2F)cs1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IATAMRTZRQRCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2S2/c1-4-21-24(30(2)25-29-22(15-35-25)19-7-6-18(26)13-20(19)27)32-14-17(5-8-23(32)28-21)16-9-11-31(12-10-16)36(3,33)34/h5-8,13-16H,4,9-12H2,1-3H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 531.65 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78426572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).