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

C28H27FN6O — CID 58824308

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1
InChIInChI=1S/C28H27FN6O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3/h4-16H,17-18H2,1-3H3,(H,30,31,32)
InChIKeyPJYIITIHLCBZJA-UHFFFAOYSA-N
MW482.56 g/mol
LogP5.28
Rot. Bonds8

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 58824308) has the molecular formula C28H27FN6O and a molecular weight of 482.56 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID58824308
Molecular FormulaC28H27FN6O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1
InChIInChI=1S/C28H27FN6O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3/h4-16H,17-18H2,1-3H3,(H,30,31,32)
InChIKeyPJYIITIHLCBZJA-UHFFFAOYSA-N
XLogP5.28
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine (CID 58824308) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine is COc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)c1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is PJYIITIHLCBZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6O/c1-34(2)18-20-12-14-35-25(16-20)33-26(21-7-9-22(29)10-8-21)27(35)24-11-13-30-28(32-24)31-17-19-5-4-6-23(15-19)36-3/h4-16H,17-18H2,1-3H3,(H,30,31,32).
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 482.56 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(3-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 58824308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).