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

C22H20FN5O — CID 10134921

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol
SMILESOc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H20FN5O/c23-15-9-7-14(8-10-15)19-20(28-13-3-6-18(29)21(28)27-19)17-11-12-24-22(26-17)25-16-4-1-2-5-16/h3,6-13,16,29H,1-2,4-5H2,(H,24,25,26)
InChIKeyUQKWYOKJTAQZEW-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.66
Rot. Bonds4

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

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol (PubChem CID 10134921) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol
PubChem CID10134921
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol
SMILESOc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H20FN5O/c23-15-9-7-14(8-10-15)19-20(28-13-3-6-18(29)21(28)27-19)17-11-12-24-22(26-17)25-16-4-1-2-5-16/h3,6-13,16,29H,1-2,4-5H2,(H,24,25,26)
InChIKeyUQKWYOKJTAQZEW-UHFFFAOYSA-N
XLogP4.66
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol (CID 10134921) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol is Oc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol?
The InChIKey is UQKWYOKJTAQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c23-15-9-7-14(8-10-15)19-20(28-13-3-6-18(29)21(28)27-19)17-11-12-24-22(26-17)25-16-4-1-2-5-16/h3,6-13,16,29H,1-2,4-5H2,(H,24,25,26).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol has a molecular weight of 389.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-ol is sourced from PubChem (CID 10134921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).