2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C30H28FN5O3 — CID 91077628

IUPAC2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(-c3ncc(Cc4ccc(F)cc4)[nH]3)nc12
InChIInChI=1S/C30H28FN5O3/c1-20-15-25(35-11-13-38-14-12-35)18-36-29(20)34-26(27(30(36)37)39-19-22-5-3-2-4-6-22)28-32-17-24(33-28)16-21-7-9-23(31)10-8-21/h2-10,15,17-18H,11-14,16,19H2,1H3,(H,32,33)
InChIKeyZBDOGPQDUHXKDF-UHFFFAOYSA-N
MW525.58 g/mol
LogP4.54
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 91077628) has the molecular formula C30H28FN5O3 and a molecular weight of 525.58 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID91077628
Molecular FormulaC30H28FN5O3
Molecular Weight525.58 g/mol
Exact Mass525.22
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(-c3ncc(Cc4ccc(F)cc4)[nH]3)nc12
InChIInChI=1S/C30H28FN5O3/c1-20-15-25(35-11-13-38-14-12-35)18-36-29(20)34-26(27(30(36)37)39-19-22-5-3-2-4-6-22)28-32-17-24(33-28)16-21-7-9-23(31)10-8-21/h2-10,15,17-18H,11-14,16,19H2,1H3,(H,32,33)
InChIKeyZBDOGPQDUHXKDF-UHFFFAOYSA-N
XLogP4.54
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 91077628) is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is Cc1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(-c3ncc(Cc4ccc(F)cc4)[nH]3)nc12.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZBDOGPQDUHXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O3/c1-20-15-25(35-11-13-38-14-12-35)18-36-29(20)34-26(27(30(36)37)39-19-22-5-3-2-4-6-22)28-32-17-24(33-28)16-21-7-9-23(31)10-8-21/h2-10,15,17-18H,11-14,16,19H2,1H3,(H,32,33).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 525.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-9-methyl-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91077628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).