7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine

C49H50F2N12O3 — CID 118976000

IUPAC7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)nc3n2)cc1.COc1ccc(-c2cn3ccc(N4CC[C@H](F)C4)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)C)nc3n2)c1
InChIInChI=1S/2C17H17FN4O.C15H16N4O/c2*1-23-14-4-2-12(3-5-14)15-11-22-9-7-16(20-17(22)19-15)21-8-6-13(18)10-21;1-18(2)14-7-8-19-10-13(16-15(19)17-14)11-5-4-6-12(9-11)20-3/h2*2-5,7,9,11,13H,6,8,10H2,1H3;4-10H,1-3H3/t2*13-;/m10./s1
InChIKeyLLYVWSNROKJYOF-HAEKBSCCSA-N
MW893.02 g/mol
LogP8.38
Rot. Bonds9

About 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine

7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine (PubChem CID 118976000) has the molecular formula C49H50F2N12O3 and a molecular weight of 893.02 g/mol. Its IUPAC name is 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine.

Molecular Properties

Compound Name7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine
PubChem CID118976000
Molecular FormulaC49H50F2N12O3
Molecular Weight893.02 g/mol
Exact Mass892.41
IUPAC Name7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)nc3n2)cc1.COc1ccc(-c2cn3ccc(N4CC[C@H](F)C4)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)C)nc3n2)c1
InChIInChI=1S/2C17H17FN4O.C15H16N4O/c2*1-23-14-4-2-12(3-5-14)15-11-22-9-7-16(20-17(22)19-15)21-8-6-13(18)10-21;1-18(2)14-7-8-19-10-13(16-15(19)17-14)11-5-4-6-12(9-11)20-3/h2*2-5,7,9,11,13H,6,8,10H2,1H3;4-10H,1-3H3/t2*13-;/m10./s1
InChIKeyLLYVWSNROKJYOF-HAEKBSCCSA-N
XLogP8.38
TPSA127.98 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.02
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine?
The IUPAC name of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine (CID 118976000) is 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine.
What is the SMILES notation for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine?
The canonical SMILES for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine is COc1ccc(-c2cn3ccc(N4CC[C@@H](F)C4)nc3n2)cc1.COc1ccc(-c2cn3ccc(N4CC[C@H](F)C4)nc3n2)cc1.COc1cccc(-c2cn3ccc(N(C)C)nc3n2)c1.
What is the InChIKey of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine?
The InChIKey is LLYVWSNROKJYOF-HAEKBSCCSA-N. The full InChI is InChI=1S/2C17H17FN4O.C15H16N4O/c2*1-23-14-4-2-12(3-5-14)15-11-22-9-7-16(20-17(22)19-15)21-8-6-13(18)10-21;1-18(2)14-7-8-19-10-13(16-15(19)17-14)11-5-4-6-12(9-11)20-3/h2*2-5,7,9,11,13H,6,8,10H2,1H3;4-10H,1-3H3/t2*13-;/m10./s1.
What are the key properties of 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine?
7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine has a molecular weight of 893.02 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;7-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine;2-(3-methoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyrimidin-7-amine is sourced from PubChem (CID 118976000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).