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

C25H29FN6 — CID 24746540

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine
SMILESCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C25H29FN6/c1-4-5-6-13-27-25-28-14-11-21(29-25)24-23(19-7-9-20(26)10-8-19)30-22-16-18(17-31(2)3)12-15-32(22)24/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,28,29)
InChIKeyWRBFTCIWHYSJLD-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.26
Rot. Bonds9

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine (PubChem CID 24746540) has the molecular formula C25H29FN6 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine
PubChem CID24746540
Molecular FormulaC25H29FN6
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine
SMILESCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C25H29FN6/c1-4-5-6-13-27-25-28-14-11-21(29-25)24-23(19-7-9-20(26)10-8-19)30-22-16-18(17-31(2)3)12-15-32(22)24/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,28,29)
InChIKeyWRBFTCIWHYSJLD-UHFFFAOYSA-N
XLogP5.26
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.26
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-pentylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine (CID 24746540) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine is CCCCCNc1nccc(-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-pentylpyrimidin-2-amine?
The InChIKey is WRBFTCIWHYSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6/c1-4-5-6-13-27-25-28-14-11-21(29-25)24-23(19-7-9-20(26)10-8-19)30-22-16-18(17-31(2)3)12-15-32(22)24/h7-12,14-16H,4-6,13,17H2,1-3H3,(H,27,28,29).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pentylpyrimidin-2-amine has a molecular weight of 432.55 g/mol, XLogP of 5.26, 9 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-pentylpyrimidin-2-amine is sourced from PubChem (CID 24746540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).