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

C24H26FN5O5 — CID 54729432

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C24H26FN5O5/c25-17-3-1-16(2-4-17)14-26-23(32)20-21(31)24(33)30-15-18(28-5-9-34-10-6-28)13-19(22(30)27-20)29-7-11-35-12-8-29/h1-4,13,15,31H,5-12,14H2,(H,26,32)
InChIKeyGXNJQWFLBQFNLX-UHFFFAOYSA-N
MW483.50 g/mol
LogP1.14
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54729432) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54729432
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C24H26FN5O5/c25-17-3-1-16(2-4-17)14-26-23(32)20-21(31)24(33)30-15-18(28-5-9-34-10-6-28)13-19(22(30)27-20)29-7-11-35-12-8-29/h1-4,13,15,31H,5-12,14H2,(H,26,32)
InChIKeyGXNJQWFLBQFNLX-UHFFFAOYSA-N
XLogP1.14
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)morpholine-4-carboxylate
CID 54677508
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537
2-(1,4-dimethylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677551
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-methylpiperazine-1-carboxylate
CID 54677553
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682231
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-9-(1-piperidyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682232
N-[(4-fluorophenyl)methyl]-3-hydroxy-10-morpholino-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 54682233
9-[acetyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682238
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-[methyl-(4-methylpiperazin-1-yl)sulfonyl-amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682247

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54729432) is N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nc2c(N3CCOCC3)cc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GXNJQWFLBQFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c25-17-3-1-16(2-4-17)14-26-23(32)20-21(31)24(33)30-15-18(28-5-9-34-10-6-28)13-19(22(30)27-20)29-7-11-35-12-8-29/h1-4,13,15,31H,5-12,14H2,(H,26,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-7,9-dimorpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54729432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).