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

C26H29FN6 — CID 10114423

IUPACN-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCCCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H29FN6/c1-2-3-15-28-22-9-6-17-33-24(23(32-25(22)33)18-10-12-19(27)13-11-18)21-14-16-29-26(31-21)30-20-7-4-5-8-20/h6,9-14,16-17,20,28H,2-5,7-8,15H2,1H3,(H,29,30,31)
InChIKeyCGZIWVFBQWMCFD-UHFFFAOYSA-N
MW444.56 g/mol
LogP6.16
Rot. Bonds8

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

N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10114423) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10114423
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC NameN-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCCCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H29FN6/c1-2-3-15-28-22-9-6-17-33-24(23(32-25(22)33)18-10-12-19(27)13-11-18)21-14-16-29-26(31-21)30-20-7-4-5-8-20/h6,9-14,16-17,20,28H,2-5,7-8,15H2,1H3,(H,29,30,31)
InChIKeyCGZIWVFBQWMCFD-UHFFFAOYSA-N
XLogP6.16
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (CID 10114423) is N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is CCCCNc1cccn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is CGZIWVFBQWMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-2-3-15-28-22-9-6-17-33-24(23(32-25(22)33)18-10-12-19(27)13-11-18)21-14-16-29-26(31-21)30-20-7-4-5-8-20/h6,9-14,16-17,20,28H,2-5,7-8,15H2,1H3,(H,29,30,31).
What are the key properties of N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 444.56 g/mol, XLogP of 6.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).