7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol

C30H29FN8O3 — CID 118976035

IUPAC7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCNc1ccn2cc(-c3ccc(O)c(OC)c3)nc2n1.FCOc1ccc(-c2cn3ccc(N4CCC4)nc3n2)cc1
InChIInChI=1S/C16H15FN4O.C14H14N4O2/c17-11-22-13-4-2-12(3-5-13)14-10-21-9-6-15(19-16(21)18-14)20-7-1-8-20;1-15-13-5-6-18-8-10(16-14(18)17-13)9-3-4-11(19)12(7-9)20-2/h2-6,9-10H,1,7-8,11H2;3-8,19H,1-2H3,(H,15,16,17)
InChIKeyXEJFEWSDKZQXFZ-UHFFFAOYSA-N
MW568.61 g/mol
LogP5.06
Rot. Bonds7

About 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol

7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol (PubChem CID 118976035) has the molecular formula C30H29FN8O3 and a molecular weight of 568.61 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
PubChem CID118976035
Molecular FormulaC30H29FN8O3
Molecular Weight568.61 g/mol
Exact Mass568.23
IUPAC Name7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol
SMILESCNc1ccn2cc(-c3ccc(O)c(OC)c3)nc2n1.FCOc1ccc(-c2cn3ccc(N4CCC4)nc3n2)cc1
InChIInChI=1S/C16H15FN4O.C14H14N4O2/c17-11-22-13-4-2-12(3-5-13)14-10-21-9-6-15(19-16(21)18-14)20-7-1-8-20;1-15-13-5-6-18-8-10(16-14(18)17-13)9-3-4-11(19)12(7-9)20-2/h2-6,9-10H,1,7-8,11H2;3-8,19H,1-2H3,(H,15,16,17)
InChIKeyXEJFEWSDKZQXFZ-UHFFFAOYSA-N
XLogP5.06
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500568.61
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The IUPAC name of 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol (CID 118976035) is 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol is CNc1ccn2cc(-c3ccc(O)c(OC)c3)nc2n1.FCOc1ccc(-c2cn3ccc(N4CCC4)nc3n2)cc1.
What is the InChIKey of 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
The InChIKey is XEJFEWSDKZQXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O.C14H14N4O2/c17-11-22-13-4-2-12(3-5-13)14-10-21-9-6-15(19-16(21)18-14)20-7-1-8-20;1-15-13-5-6-18-8-10(16-14(18)17-13)9-3-4-11(19)12(7-9)20-2/h2-6,9-10H,1,7-8,11H2;3-8,19H,1-2H3,(H,15,16,17).
What are the key properties of 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol?
7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol has a molecular weight of 568.61 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-2-[4-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;2-methoxy-4-[7-(methylamino)imidazo[1,2-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 118976035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).