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

C23H25FN6 — CID 24746217

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25FN6/c1-4-11-25-23-26-12-9-19(27-23)22-21(17-5-7-18(24)8-6-17)28-20-14-16(15-29(2)3)10-13-30(20)22/h5-10,12-14H,4,11,15H2,1-3H3,(H,25,26,27)
InChIKeyIZLQDYWGDKMSKH-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.48
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 24746217) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine
PubChem CID24746217
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C23H25FN6/c1-4-11-25-23-26-12-9-19(27-23)22-21(17-5-7-18(24)8-6-17)28-20-14-16(15-29(2)3)10-13-30(20)22/h5-10,12-14H,4,11,15H2,1-3H3,(H,25,26,27)
InChIKeyIZLQDYWGDKMSKH-UHFFFAOYSA-N
XLogP4.48
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propylpyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine (CID 24746217) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-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-propylpyrimidin-2-amine?
The InChIKey is IZLQDYWGDKMSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-4-11-25-23-26-12-9-19(27-23)22-21(17-5-7-18(24)8-6-17)28-20-14-16(15-29(2)3)10-13-30(20)22/h5-10,12-14H,4,11,15H2,1-3H3,(H,25,26,27).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 404.49 g/mol, XLogP of 4.48, 7 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-propylpyrimidin-2-amine is sourced from PubChem (CID 24746217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).