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

C21H21FN4O5 — CID 54730373

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCOc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C21H21FN4O5/c1-30-16-10-15(25-6-8-31-9-7-25)12-26-19(16)24-17(18(27)21(26)29)20(28)23-11-13-2-4-14(22)5-3-13/h2-5,10,12,27H,6-9,11H2,1H3,(H,23,28)
InChIKeyYLCZIGRLLGSSOZ-UHFFFAOYSA-N
MW428.42 g/mol
LogP1.31
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730373) has the molecular formula C21H21FN4O5 and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730373
Molecular FormulaC21H21FN4O5
Molecular Weight428.42 g/mol
Exact Mass428.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCOc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C21H21FN4O5/c1-30-16-10-15(25-6-8-31-9-7-25)12-26-19(16)24-17(18(27)21(26)29)20(28)23-11-13-2-4-14(22)5-3-13/h2-5,10,12,27H,6-9,11H2,1H3,(H,23,28)
InChIKeyYLCZIGRLLGSSOZ-UHFFFAOYSA-N
XLogP1.31
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.31
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 N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730373) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is COc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is YLCZIGRLLGSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O5/c1-30-16-10-15(25-6-8-31-9-7-25)12-26-19(16)24-17(18(27)21(26)29)20(28)23-11-13-2-4-14(22)5-3-13/h2-5,10,12,27H,6-9,11H2,1H3,(H,23,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 1.31, 5 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-methoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).