N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

C23H26FN5O7S — CID 143465950

IUPACN-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NCc1ccc(F)cc1S(=O)(=O)N1CCNCC1)c1nc2n(c(=O)c1O)CCOC21C=COCC1
InChIInChI=1S/C23H26FN5O7S/c24-16-2-1-15(17(13-16)37(33,34)28-7-5-25-6-8-28)14-26-20(31)18-19(30)21(32)29-9-12-36-23(22(29)27-18)3-10-35-11-4-23/h1-3,10,13,25,30H,4-9,11-12,14H2,(H,26,31)
InChIKeyRODMHVKKYIKWQD-UHFFFAOYSA-N
MW535.55 g/mol
LogP-0.23
Rot. Bonds5

About N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 143465950) has the molecular formula C23H26FN5O7S and a molecular weight of 535.55 g/mol. Its IUPAC name is N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID143465950
Molecular FormulaC23H26FN5O7S
Molecular Weight535.55 g/mol
Exact Mass535.15
IUPAC NameN-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NCc1ccc(F)cc1S(=O)(=O)N1CCNCC1)c1nc2n(c(=O)c1O)CCOC21C=COCC1
InChIInChI=1S/C23H26FN5O7S/c24-16-2-1-15(17(13-16)37(33,34)28-7-5-25-6-8-28)14-26-20(31)18-19(30)21(32)29-9-12-36-23(22(29)27-18)3-10-35-11-4-23/h1-3,10,13,25,30H,4-9,11-12,14H2,(H,26,31)
InChIKeyRODMHVKKYIKWQD-UHFFFAOYSA-N
XLogP-0.23
TPSA152.09 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.55
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide with MolForge

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Related Compounds

N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 58877940
N-[[2-(4-acetylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58877951
N-[[2-(4-acetylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 58877910
N-[[4-fluoro-2-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 58877956
9-ethyl-N-[(4-fluoro-2-methylsulfonylphenyl)methyl]-3-hydroxy-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 143464558
benzyl 2-[[4-fluoro-2-(4-methylpiperazin-1-yl)sulfonylphenyl]methylcarbamoyl]-3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,4'-piperidine]-1'-carboxylate
CID 54681918
N-[[4-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,3'-oxolane]-2-carboxamide
CID 54706509
[5-fluoro-2-[[(3-hydroxy-4-oxospiro[7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-10,4'-oxane]-2-carbonyl)amino]methyl]phenyl]phosphonic acid
CID 69206755
3-hydroxy-N-[(2-methylsulfonyl-4-phosphanylphenyl)methyl]-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,3'-oxolane]-2-carboxamide
CID 143464523
N-[[2-[2-(4-acetylpiperazin-1-yl)ethyl]-4-fluorophenyl]methyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-oxane]-2-carboxamide
CID 143465873
N-[[3-fluoro-5-[(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54682671
2-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,4'-piperidine]-1'-yl]-2-oxoacetic acid
CID 54681971

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 143465950) is N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is O=C(NCc1ccc(F)cc1S(=O)(=O)N1CCNCC1)c1nc2n(c(=O)c1O)CCOC21C=COCC1.
What is the InChIKey of N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is RODMHVKKYIKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O7S/c24-16-2-1-15(17(13-16)37(33,34)28-7-5-25-6-8-28)14-26-20(31)18-19(30)21(32)29-9-12-36-23(22(29)27-18)3-10-35-11-4-23/h1-3,10,13,25,30H,4-9,11-12,14H2,(H,26,31).
What are the key properties of N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 535.55 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-3'-hydroxy-4'-oxospiro[2,3-dihydropyran-4,9'-6,7-dihydropyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 143465950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).