(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C23H25F3N2O5 — CID 138524021

IUPAC(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)[C@]1(C)Cc2cc(OCC3CCOC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H25F3N2O5/c1-11(2)23(3)7-13-6-15(33-10-12-4-5-32-9-12)18(21(25)26)27-17(13)19-16(24)20(29)14(22(30)31)8-28(19)23/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,30,31)/t12?,23-/m0/s1
InChIKeyLJXPRCQPDWSRIT-SLBUAACQSA-N
MW466.46 g/mol
LogP4.03
Rot. Bonds6

About (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 138524021) has the molecular formula C23H25F3N2O5 and a molecular weight of 466.46 g/mol. Its IUPAC name is (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID138524021
Molecular FormulaC23H25F3N2O5
Molecular Weight466.46 g/mol
Exact Mass466.17
IUPAC Name(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)[C@]1(C)Cc2cc(OCC3CCOC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C23H25F3N2O5/c1-11(2)23(3)7-13-6-15(33-10-12-4-5-32-9-12)18(21(25)26)27-17(13)19-16(24)20(29)14(22(30)31)8-28(19)23/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,30,31)/t12?,23-/m0/s1
InChIKeyLJXPRCQPDWSRIT-SLBUAACQSA-N
XLogP4.03
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 138524021) is (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is CC(C)[C@]1(C)Cc2cc(OCC3CCOC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21.
What is the InChIKey of (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is LJXPRCQPDWSRIT-SLBUAACQSA-N. The full InChI is InChI=1S/C23H25F3N2O5/c1-11(2)23(3)7-13-6-15(33-10-12-4-5-32-9-12)18(21(25)26)27-17(13)19-16(24)20(29)14(22(30)31)8-28(19)23/h6,8,11-12,21H,4-5,7,9-10H2,1-3H3,(H,30,31)/t12?,23-/m0/s1.
What are the key properties of (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
(6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 466.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-3-(oxolan-3-ylmethoxy)-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 138524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).