9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C27H24F2N4O5 — CID 54733276

IUPAC9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(OCc3ccc(F)cc3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C27H24F2N4O5/c28-19-5-1-17(2-6-19)14-30-26(35)23-24(34)27(36)33-15-21(32-9-11-37-12-10-32)13-22(25(33)31-23)38-16-18-3-7-20(29)8-4-18/h1-8,13,15,34H,9-12,14,16H2,(H,30,35)
InChIKeySNMMNXQZLGJXCJ-UHFFFAOYSA-N
MW522.51 g/mol
LogP3.02
Rot. Bonds7

About 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54733276) has the molecular formula C27H24F2N4O5 and a molecular weight of 522.51 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54733276
Molecular FormulaC27H24F2N4O5
Molecular Weight522.51 g/mol
Exact Mass522.17
IUPAC Name9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(OCc3ccc(F)cc3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C27H24F2N4O5/c28-19-5-1-17(2-6-19)14-30-26(35)23-24(34)27(36)33-15-21(32-9-11-37-12-10-32)13-22(25(33)31-23)38-16-18-3-7-20(29)8-4-18/h1-8,13,15,34H,9-12,14,16H2,(H,30,35)
InChIKeySNMMNXQZLGJXCJ-UHFFFAOYSA-N
XLogP3.02
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54733276) is 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2c(OCc3ccc(F)cc3)cc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is SNMMNXQZLGJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O5/c28-19-5-1-17(2-6-19)14-30-26(35)23-24(34)27(36)33-15-21(32-9-11-37-12-10-32)13-22(25(33)31-23)38-16-18-3-7-20(29)8-4-18/h1-8,13,15,34H,9-12,14,16H2,(H,30,35).
What are the key properties of 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 522.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54733276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).