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

C25H25FN4O6 — CID 71593512

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCC(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C25H25FN4O6/c1-2-17(20(31)24(34)29-10-12-36-13-11-29)18-4-3-9-30-22(18)28-19(21(32)25(30)35)23(33)27-14-15-5-7-16(26)8-6-15/h3-9,17,32H,2,10-14H2,1H3,(H,27,33)
InChIKeyHANABSLCGDVQGW-UHFFFAOYSA-N
MW496.50 g/mol
LogP1.39
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 71593512) has the molecular formula C25H25FN4O6 and a molecular weight of 496.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID71593512
Molecular FormulaC25H25FN4O6
Molecular Weight496.50 g/mol
Exact Mass496.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCC(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C25H25FN4O6/c1-2-17(20(31)24(34)29-10-12-36-13-11-29)18-4-3-9-30-22(18)28-19(21(32)25(30)35)23(33)27-14-15-5-7-16(26)8-6-15/h3-9,17,32H,2,10-14H2,1H3,(H,27,33)
InChIKeyHANABSLCGDVQGW-UHFFFAOYSA-N
XLogP1.39
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.50
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-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
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-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-morpholino-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682263
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54688265
9-[benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54709826
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-[methyl(morpholinosulfonyl)amino]-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54709843

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 71593512) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCC(C(=O)C(=O)N1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is HANABSLCGDVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O6/c1-2-17(20(31)24(34)29-10-12-36-13-11-29)18-4-3-9-30-22(18)28-19(21(32)25(30)35)23(33)27-14-15-5-7-16(26)8-6-15/h3-9,17,32H,2,10-14H2,1H3,(H,27,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(1-morpholin-4-yl-1,2-dioxopentan-3-yl)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71593512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).