4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine

C26H31FN6 — CID 24746542

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C26H31FN6/c1-4-5-6-7-14-28-26-29-15-12-22(30-26)25-24(20-8-10-21(27)11-9-20)31-23-17-19(18-32(2)3)13-16-33(23)25/h8-13,15-17H,4-7,14,18H2,1-3H3,(H,28,29,30)
InChIKeyRDTAVBQNSLUERJ-UHFFFAOYSA-N
MW446.57 g/mol
LogP5.65
Rot. Bonds10

About 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine (PubChem CID 24746542) has the molecular formula C26H31FN6 and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine
PubChem CID24746542
Molecular FormulaC26H31FN6
Molecular Weight446.57 g/mol
Exact Mass446.26
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine
SMILESCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C26H31FN6/c1-4-5-6-7-14-28-26-29-15-12-22(30-26)25-24(20-8-10-21(27)11-9-20)31-23-17-19(18-32(2)3)13-16-33(23)25/h8-13,15-17H,4-7,14,18H2,1-3H3,(H,28,29,30)
InChIKeyRDTAVBQNSLUERJ-UHFFFAOYSA-N
XLogP5.65
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
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 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine (CID 24746542) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine is CCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine?
The InChIKey is RDTAVBQNSLUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6/c1-4-5-6-7-14-28-26-29-15-12-22(30-26)25-24(20-8-10-21(27)11-9-20)31-23-17-19(18-32(2)3)13-16-33(23)25/h8-13,15-17H,4-7,14,18H2,1-3H3,(H,28,29,30).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine has a molecular weight of 446.57 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-hexylpyrimidin-2-amine is sourced from PubChem (CID 24746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).