4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C17H19N5O — CID 46896670

IUPAC4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1
InChIInChI=1S/C17H19N5O/c23-13-6-4-12(5-7-13)20-17-18-9-8-14(21-17)15-11-19-16-3-1-2-10-22(15)16/h1-3,8-13,23H,4-7H2,(H,18,20,21)
InChIKeyRPBRKXHDLFDUJN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.51
Rot. Bonds3

About 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 46896670) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID46896670
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1
InChIInChI=1S/C17H19N5O/c23-13-6-4-12(5-7-13)20-17-18-9-8-14(21-17)15-11-19-16-3-1-2-10-22(15)16/h1-3,8-13,23H,4-7H2,(H,18,20,21)
InChIKeyRPBRKXHDLFDUJN-UHFFFAOYSA-N
XLogP2.51
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 46896670) is 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1.
What is the InChIKey of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is RPBRKXHDLFDUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-13-6-4-12(5-7-13)20-17-18-9-8-14(21-17)15-11-19-16-3-1-2-10-22(15)16/h1-3,8-13,23H,4-7H2,(H,18,20,21).
What are the key properties of 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 46896670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).