7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H25F2N5O5 — CID 122186035

IUPAC7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3CCC(NCc4nc5c(cc4F)OCC(=O)N5)CO3)c2n1
InChIInChI=1S/C24H25F2N5O5/c1-34-22-5-3-16-23(31-22)13(15(26)8-28-16)6-18(32)19-4-2-12(10-35-19)27-9-17-14(25)7-20-24(29-17)30-21(33)11-36-20/h3,5,7-8,12,18-19,27,32H,2,4,6,9-11H2,1H3,(H,29,30,33)/t12?,18-,19?/m0/s1
InChIKeyVTNOSRSUFIHNJO-BALUQIDSSA-N
MW501.49 g/mol
LogP1.88
Rot. Bonds7

About 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122186035) has the molecular formula C24H25F2N5O5 and a molecular weight of 501.49 g/mol. Its IUPAC name is 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122186035
Molecular FormulaC24H25F2N5O5
Molecular Weight501.49 g/mol
Exact Mass501.18
IUPAC Name7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(F)c(C[C@H](O)C3CCC(NCc4nc5c(cc4F)OCC(=O)N5)CO3)c2n1
InChIInChI=1S/C24H25F2N5O5/c1-34-22-5-3-16-23(31-22)13(15(26)8-28-16)6-18(32)19-4-2-12(10-35-19)27-9-17-14(25)7-20-24(29-17)30-21(33)11-36-20/h3,5,7-8,12,18-19,27,32H,2,4,6,9-11H2,1H3,(H,29,30,33)/t12?,18-,19?/m0/s1
InChIKeyVTNOSRSUFIHNJO-BALUQIDSSA-N
XLogP1.88
TPSA127.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122186035) is 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2ncc(F)c(C[C@H](O)C3CCC(NCc4nc5c(cc4F)OCC(=O)N5)CO3)c2n1.
What is the InChIKey of 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VTNOSRSUFIHNJO-BALUQIDSSA-N. The full InChI is InChI=1S/C24H25F2N5O5/c1-34-22-5-3-16-23(31-22)13(15(26)8-28-16)6-18(32)19-4-2-12(10-35-19)27-9-17-14(25)7-20-24(29-17)30-21(33)11-36-20/h3,5,7-8,12,18-19,27,32H,2,4,6,9-11H2,1H3,(H,29,30,33)/t12?,18-,19?/m0/s1.
What are the key properties of 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 501.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[[[6-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122186035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).