5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

C25H25FN6 — CID 89266016

IUPAC5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESC=CCN1CCN(c2ccc(Nc3ccc(-c4cncc(F)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H25FN6/c1-2-10-30-12-14-31(15-13-30)22-5-3-21(4-6-22)29-23-7-8-24(32-11-9-28-25(23)32)19-16-20(26)18-27-17-19/h2-9,11,16-18,29H,1,10,12-15H2
InChIKeyCVTODTBVFQSHIF-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.59
Rot. Bonds6

About 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 89266016) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID89266016
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESC=CCN1CCN(c2ccc(Nc3ccc(-c4cncc(F)c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C25H25FN6/c1-2-10-30-12-14-31(15-13-30)22-5-3-21(4-6-22)29-23-7-8-24(32-11-9-28-25(23)32)19-16-20(26)18-27-17-19/h2-9,11,16-18,29H,1,10,12-15H2
InChIKeyCVTODTBVFQSHIF-UHFFFAOYSA-N
XLogP4.59
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 46220502
CID 46220502
CID 1530
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CID 118023034
CID 118023034
CID 49971
CID 49971
CID 54766013
CID 54766013
CID 53262401
CID 53262401
CID 5164
CID 5164
CID 104954
CID 104954
CID 68947304
CID 68947304
CID 118161062
CID 118161062
CID 9806182
CID 9806182
CID 6321422
CID 6321422

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 89266016) is 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is C=CCN1CCN(c2ccc(Nc3ccc(-c4cncc(F)c4)n4ccnc34)cc2)CC1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is CVTODTBVFQSHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c1-2-10-30-12-14-31(15-13-30)22-5-3-21(4-6-22)29-23-7-8-24(32-11-9-28-25(23)32)19-16-20(26)18-27-17-19/h2-9,11,16-18,29H,1,10,12-15H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 428.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 89266016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).