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

C22H23F3N2O4 — CID 138524017

IUPAC(6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)[C@]1(C)Cc2cc(OCC3CC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C22H23F3N2O4/c1-10(2)22(3)7-12-6-14(31-9-11-4-5-11)17(20(24)25)26-16(12)18-15(23)19(28)13(21(29)30)8-27(18)22/h6,8,10-11,20H,4-5,7,9H2,1-3H3,(H,29,30)/t22-/m0/s1
InChIKeyQUZLUBVJGDHTFC-QFIPXVFZSA-N
MW436.43 g/mol
LogP4.40
Rot. Bonds6

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

(6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 138524017) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name(6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID138524017
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name(6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCC(C)[C@]1(C)Cc2cc(OCC3CC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21
InChIInChI=1S/C22H23F3N2O4/c1-10(2)22(3)7-12-6-14(31-9-11-4-5-11)17(20(24)25)26-16(12)18-15(23)19(28)13(21(29)30)8-27(18)22/h6,8,10-11,20H,4-5,7,9H2,1-3H3,(H,29,30)/t22-/m0/s1
InChIKeyQUZLUBVJGDHTFC-QFIPXVFZSA-N
XLogP4.40
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 138524017) is (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is CC(C)[C@]1(C)Cc2cc(OCC3CC3)c(C(F)F)nc2-c2c(F)c(=O)c(C(=O)O)cn21.
What is the InChIKey of (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is QUZLUBVJGDHTFC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-10(2)22(3)7-12-6-14(31-9-11-4-5-11)17(20(24)25)26-16(12)18-15(23)19(28)13(21(29)30)8-27(18)22/h6,8,10-11,20H,4-5,7,9H2,1-3H3,(H,29,30)/t22-/m0/s1.
What are the key properties of (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
(6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 436.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(cyclopropylmethoxy)-2-(difluoromethyl)-11-fluoro-6-methyl-10-oxo-6-propan-2-yl-5H-pyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 138524017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).