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

C30H27FN4O3 — CID 58147980

IUPAC2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(C2=NC=C(Cc3ccc(F)cc3)C2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C30H27FN4O3/c31-24-8-6-21(7-9-24)16-23-17-26(32-18-23)28-29(38-20-22-4-2-1-3-5-22)30(36)35-19-25(10-11-27(35)33-28)34-12-14-37-15-13-34/h1-11,18-19H,12-17,20H2
InChIKeyCDLDBHUUEFVBQZ-UHFFFAOYSA-N
MW510.57 g/mol
LogP4.57
Rot. Bonds7

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

2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58147980) has the molecular formula C30H27FN4O3 and a molecular weight of 510.57 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID58147980
Molecular FormulaC30H27FN4O3
Molecular Weight510.57 g/mol
Exact Mass510.21
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(C2=NC=C(Cc3ccc(F)cc3)C2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C30H27FN4O3/c31-24-8-6-21(7-9-24)16-23-17-26(32-18-23)28-29(38-20-22-4-2-1-3-5-22)30(36)35-19-25(10-11-27(35)33-28)34-12-14-37-15-13-34/h1-11,18-19H,12-17,20H2
InChIKeyCDLDBHUUEFVBQZ-UHFFFAOYSA-N
XLogP4.57
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.57
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-Bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58100968
2-[3-(4-Fluorophenyl)propanoyl]-7-iodo-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58101031
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-(morpholin-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101047
5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
[(E)-[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101133
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101167
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147974
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147979
2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
CID 58147996
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148000
3-[2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 58148018
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58147980) is 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is O=c1c(OCc2ccccc2)c(C2=NC=C(Cc3ccc(F)cc3)C2)nc2ccc(N3CCOCC3)cn12.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CDLDBHUUEFVBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O3/c31-24-8-6-21(7-9-24)16-23-17-26(32-18-23)28-29(38-20-22-4-2-1-3-5-22)30(36)35-19-25(10-11-27(35)33-28)34-12-14-37-15-13-34/h1-11,18-19H,12-17,20H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 510.57 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58147980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).