7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C23H23FN4O4 — CID 14978092

IUPAC7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N
InChIInChI=1S/C23H23FN4O4/c1-32-19-5-3-2-4-13(19)15-9-27(11-18(15)25)22-17(24)8-14-20(29)16(23(30)31)10-28(12-6-7-12)21(14)26-22/h2-5,8,10,12,15,18H,6-7,9,11,25H2,1H3,(H,30,31)/t15-,18-/m0/s1
InChIKeyVCHCNXOIPHDGLQ-YJBOKZPZSA-N
MW438.46 g/mol
LogP2.51
Rot. Bonds5

About 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 14978092) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID14978092
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1ccccc1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N
InChIInChI=1S/C23H23FN4O4/c1-32-19-5-3-2-4-13(19)15-9-27(11-18(15)25)22-17(24)8-14-20(29)16(23(30)31)10-28(12-6-7-12)21(14)26-22/h2-5,8,10,12,15,18H,6-7,9,11,25H2,1H3,(H,30,31)/t15-,18-/m0/s1
InChIKeyVCHCNXOIPHDGLQ-YJBOKZPZSA-N
XLogP2.51
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 14978092) is 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1ccccc1[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N.
What is the InChIKey of 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is VCHCNXOIPHDGLQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-32-19-5-3-2-4-13(19)15-9-27(11-18(15)25)22-17(24)8-14-20(29)16(23(30)31)10-28(12-6-7-12)21(14)26-22/h2-5,8,10,12,15,18H,6-7,9,11,25H2,1H3,(H,30,31)/t15-,18-/m0/s1.
What are the key properties of 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 438.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4R)-3-amino-4-(2-methoxyphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 14978092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).