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

C24H26FN5O5 — CID 54730627

IUPAC9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)CN1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H26FN5O5/c1-2-29(19(31)15-28-10-12-35-13-11-28)18-4-3-9-30-22(18)27-20(21(32)24(30)34)23(33)26-14-16-5-7-17(25)8-6-16/h3-9,32H,2,10-15H2,1H3,(H,26,33)
InChIKeyJOIBXXXZWAARGO-UHFFFAOYSA-N
MW483.50 g/mol
LogP1.15
Rot. Bonds7

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

9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730627) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730627
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)CN1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C24H26FN5O5/c1-2-29(19(31)15-28-10-12-35-13-11-28)18-4-3-9-30-22(18)27-20(21(32)24(30)34)23(33)26-14-16-5-7-17(25)8-6-16/h3-9,32H,2,10-15H2,1H3,(H,26,33)
InChIKeyJOIBXXXZWAARGO-UHFFFAOYSA-N
XLogP1.15
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677595
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

Frequently Asked Questions

What is the IUPAC name of 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730627) is 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CCN(C(=O)CN1CCOCC1)c1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is JOIBXXXZWAARGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-2-29(19(31)15-28-10-12-35-13-11-28)18-4-3-9-30-22(18)27-20(21(32)24(30)34)23(33)26-14-16-5-7-17(25)8-6-16/h3-9,32H,2,10-15H2,1H3,(H,26,33).
What are the key properties of 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethyl-(2-morpholin-4-ylacetyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).