N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide

C18H22N6O2S — CID 46896669

IUPACN-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1
InChIInChI=1S/C18H22N6O2S/c1-27(25,26)23-14-7-5-13(6-8-14)21-18-19-10-9-15(22-18)16-12-20-17-4-2-3-11-24(16)17/h2-4,9-14,23H,5-8H2,1H3,(H,19,21,22)
InChIKeyNXXOMTBHZVIUJY-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.06
Rot. Bonds5

About N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide

N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide (PubChem CID 46896669) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide
PubChem CID46896669
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1
InChIInChI=1S/C18H22N6O2S/c1-27(25,26)23-14-7-5-13(6-8-14)21-18-19-10-9-15(22-18)16-12-20-17-4-2-3-11-24(16)17/h2-4,9-14,23H,5-8H2,1H3,(H,19,21,22)
InChIKeyNXXOMTBHZVIUJY-UHFFFAOYSA-N
XLogP2.06
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide (CID 46896669) is N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1.
What is the InChIKey of N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide?
The InChIKey is NXXOMTBHZVIUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-27(25,26)23-14-7-5-13(6-8-14)21-18-19-10-9-15(22-18)16-12-20-17-4-2-3-11-24(16)17/h2-4,9-14,23H,5-8H2,1H3,(H,19,21,22).
What are the key properties of N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide?
N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 46896669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).