1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C17H19FN6O — CID 70727982

IUPAC1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1nc(N2CCC3(CC2)Nc2ccccc2NC3=O)ncc1F
InChIInChI=1S/C17H19FN6O/c1-19-14-11(18)10-20-16(22-14)24-8-6-17(7-9-24)15(25)21-12-4-2-3-5-13(12)23-17/h2-5,10,23H,6-9H2,1H3,(H,21,25)(H,19,20,22)
InChIKeyOHTNBNONWPYRDD-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.06
Rot. Bonds2

About 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70727982) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70727982
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCNc1nc(N2CCC3(CC2)Nc2ccccc2NC3=O)ncc1F
InChIInChI=1S/C17H19FN6O/c1-19-14-11(18)10-20-16(22-14)24-8-6-17(7-9-24)15(25)21-12-4-2-3-5-13(12)23-17/h2-5,10,23H,6-9H2,1H3,(H,21,25)(H,19,20,22)
InChIKeyOHTNBNONWPYRDD-UHFFFAOYSA-N
XLogP2.06
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

1'-[2-(methylamino)pyrimidine-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70710366
1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70755419
1'-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 96579260
1'-propan-2-ylspiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70767469
1'-[2-(methylamino)pyridine-4-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70744015
6-(3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
CID 70763101
1'-[2-amino-6-(dimethylamino)pyrimidin-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70714024
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70711248
2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol
CID 167774269
5-fluoro-N-methyl-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 134706201

Frequently Asked Questions

What is the IUPAC name of 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70727982) is 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is CNc1nc(N2CCC3(CC2)Nc2ccccc2NC3=O)ncc1F.
What is the InChIKey of 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is OHTNBNONWPYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-19-14-11(18)10-20-16(22-14)24-8-6-17(7-9-24)15(25)21-12-4-2-3-5-13(12)23-17/h2-5,10,23H,6-9H2,1H3,(H,21,25)(H,19,20,22).
What are the key properties of 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 342.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70727982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).