7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C22H18FN7O4S — CID 142434671

IUPAC7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)NCc3ncccc3F)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H18FN7O4S/c1-11-5-16(29-7-12(8-29)20(32)25-6-15-14(23)3-2-4-24-15)28-19-17(11)18(31)13(21(33)34)9-30(19)22-26-10-27-35-22/h2-5,9-10,12H,6-8H2,1H3,(H,25,32)(H,33,34)
InChIKeySABDONCCQXJYDB-UHFFFAOYSA-N
MW495.50 g/mol
LogP1.53
Rot. Bonds6

About 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434671) has the molecular formula C22H18FN7O4S and a molecular weight of 495.50 g/mol. Its IUPAC name is 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434671
Molecular FormulaC22H18FN7O4S
Molecular Weight495.50 g/mol
Exact Mass495.11
IUPAC Name7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)NCc3ncccc3F)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
InChIInChI=1S/C22H18FN7O4S/c1-11-5-16(29-7-12(8-29)20(32)25-6-15-14(23)3-2-4-24-15)28-19-17(11)18(31)13(21(33)34)9-30(19)22-26-10-27-35-22/h2-5,9-10,12H,6-8H2,1H3,(H,25,32)(H,33,34)
InChIKeySABDONCCQXJYDB-UHFFFAOYSA-N
XLogP1.53
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434671) is 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)NCc3ncccc3F)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.
What is the InChIKey of 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SABDONCCQXJYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O4S/c1-11-5-16(29-7-12(8-29)20(32)25-6-15-14(23)3-2-4-24-15)28-19-17(11)18(31)13(21(33)34)9-30(19)22-26-10-27-35-22/h2-5,9-10,12H,6-8H2,1H3,(H,25,32)(H,33,34).
What are the key properties of 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 495.50 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).