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

C26H27FN6O2S — CID 90420988

IUPAC2-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
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H27FN6O2S/c1-4-22-25(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/h5-12,14,17H,4,13,15-16H2,1-3H3
InChIKeyALBCKBXMODOFSP-UHFFFAOYSA-N
MW506.61 g/mol
LogP4.31
Rot. Bonds6

About 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-[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 (PubChem CID 90420988) has the molecular formula C26H27FN6O2S and a molecular weight of 506.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID90420988
Molecular FormulaC26H27FN6O2S
Molecular Weight506.61 g/mol
Exact Mass506.19
IUPAC Name2-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
SMILESCCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C26H27FN6O2S/c1-4-22-25(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/h5-12,14,17H,4,13,15-16H2,1-3H3
InChIKeyALBCKBXMODOFSP-UHFFFAOYSA-N
XLogP4.31
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 90420988) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 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?
The InChIKey is ALBCKBXMODOFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2S/c1-4-22-25(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/h5-12,14,17H,4,13,15-16H2,1-3H3.
What are the key properties of 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-[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 has a molecular weight of 506.61 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90420988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).