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

C25H27FN6O — CID 15954556

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H27FN6O/c1-33-16-14-27-21-7-4-15-32-23(22(31-24(21)32)17-8-10-18(26)11-9-17)20-12-13-28-25(30-20)29-19-5-2-3-6-19/h4,7-13,15,19,27H,2-3,5-6,14,16H2,1H3,(H,28,29,30)
InChIKeySXLDLEPYDDYCTE-UHFFFAOYSA-N
MW446.53 g/mol
LogP5.01
Rot. Bonds8

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

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 15954556) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID15954556
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H27FN6O/c1-33-16-14-27-21-7-4-15-32-23(22(31-24(21)32)17-8-10-18(26)11-9-17)20-12-13-28-25(30-20)29-19-5-2-3-6-19/h4,7-13,15,19,27H,2-3,5-6,14,16H2,1H3,(H,28,29,30)
InChIKeySXLDLEPYDDYCTE-UHFFFAOYSA-N
XLogP5.01
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10275844
4-[8-(cyclopentylamino)-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 10184407
4-[8-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10180400
2-[3-[bis(cyclopropylmethyl)amino]phenyl]-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-8-amine;N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(cyclopropylmethylamino)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 162139102
(1S,5R)-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 58541735
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 143567388
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
N-cyclopentyl-4-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 10276224
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
N-cyclobutyl-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
CID 59641137
4-[(5S)-2-(4-fluorophenyl)-5-[[(3-fluorophenyl)methyl-methylamino]methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 59641192

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine (CID 15954556) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine is COCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is SXLDLEPYDDYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-33-16-14-27-21-7-4-15-32-23(22(31-24(21)32)17-8-10-18(26)11-9-17)20-12-13-28-25(30-20)29-19-5-2-3-6-19/h4,7-13,15,19,27H,2-3,5-6,14,16H2,1H3,(H,28,29,30).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 446.53 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 15954556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).