bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine

C68H76F2N16O6S3 — CID 157311100

About bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine

bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 157311100) has the molecular formula C68H76F2N16O6S3 and a molecular weight of 1347.66 g/mol. Its IUPAC name is bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

• Compound Name: bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine
• PubChem CID: 157311100
• Molecular Formula: C68H76F2N16O6S3
• Molecular Weight: 1347.66 g/mol
• Exact Mass: 1346.53
• IUPAC Name: bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine
• SMILES: CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1.CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1.CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1NC
• InChI: InChI=1S/2C26H27FN6O2S.C16H22N4O2S/c2*1-4-22-25(31(2)26-28-14-11-23(30-26)19-5-8-21(27)9-6-19)33-17-20(7-10-24(33)29-22)18-12-15-32(16-13-18)36(3,34)35;1-4-14-16(17-2)20-11-13(5-6-15(20)18-14)12-7-9-19(10-8-12)23(3,21)22/h2*5-12,14,17H,4,13,15-16H2,1-3H3;5-7,11,17H,4,8-10H2,1-3H3
• InChIKey: BDAYEIRBKBDKFF-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 234.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.66
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine?

The IUPAC name of bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine (CID 157311100) is bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine.

What is the SMILES notation for bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine?

The canonical SMILES for bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine is CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1.CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1.CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1NC.

What is the InChIKey of bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine?

The InChIKey is BDAYEIRBKBDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27FN6O2S.C16H22N4O2S/c2*1-4-22-25(31(2)26-28-14-11-23(30-26)19-5-8-21(27)9-6-19)33-17-20(7-10-24(33)29-22)18-12-15-32(16-13-18)36(3,34)35;1-4-14-16(17-2)20-11-13(5-6-15(20)18-14)12-7-9-19(10-8-12)23(3,21)22/h2*5-12,14,17H,4,13,15-16H2,1-3H3;5-7,11,17H,4,8-10H2,1-3H3.

What are the key properties of bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine?

bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 1347.66 g/mol, XLogP of 10.61, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine);2-ethyl-N-methyl-6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 157311100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).