3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol

C17H19N5O — CID 150471195

IUPAC3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
SMILESOc1cccn2c(-c3ccnc(NC4CCCCC4)n3)cnc12
InChIInChI=1S/C17H19N5O/c23-15-7-4-10-22-14(11-19-16(15)22)13-8-9-18-17(21-13)20-12-5-2-1-3-6-12/h4,7-12,23H,1-3,5-6H2,(H,18,20,21)
InChIKeyHRVFARFDSJZGJJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.24
Rot. Bonds3

About 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol

3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol (PubChem CID 150471195) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
PubChem CID150471195
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol
SMILESOc1cccn2c(-c3ccnc(NC4CCCCC4)n3)cnc12
InChIInChI=1S/C17H19N5O/c23-15-7-4-10-22-14(11-19-16(15)22)13-8-9-18-17(21-13)20-12-5-2-1-3-6-12/h4,7-12,23H,1-3,5-6H2,(H,18,20,21)
InChIKeyHRVFARFDSJZGJJ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol (CID 150471195) is 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol is Oc1cccn2c(-c3ccnc(NC4CCCCC4)n3)cnc12.
What is the InChIKey of 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol?
The InChIKey is HRVFARFDSJZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-7-4-10-22-14(11-19-16(15)22)13-8-9-18-17(21-13)20-12-5-2-1-3-6-12/h4,7-12,23H,1-3,5-6H2,(H,18,20,21).
What are the key properties of 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol?
3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol has a molecular weight of 309.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 150471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).