sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

C19H16FN4NaO3S — CID 23671555

IUPACsodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESNc1nc2c(s1)CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)CC2.[Na+]
InChIInChI=1S/C19H17FN4O3S.Na/c20-12-5-10-14(24(9-1-2-9)7-11(17(10)25)18(26)27)6-15(12)23-4-3-13-16(8-23)28-19(21)22-13;/h5-7,9H,1-4,8H2,(H2,21,22)(H,26,27);/q;+1/p-1
InChIKeyLRDGNKUDGQKWOY-UHFFFAOYSA-M
MW422.42 g/mol
LogP-1.56
Rot. Bonds3

About sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate

sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (PubChem CID 23671555) has the molecular formula C19H16FN4NaO3S and a molecular weight of 422.42 g/mol. Its IUPAC name is sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namesodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
PubChem CID23671555
Molecular FormulaC19H16FN4NaO3S
Molecular Weight422.42 g/mol
Exact Mass422.08
IUPAC Namesodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
SMILESNc1nc2c(s1)CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)CC2.[Na+]
InChIInChI=1S/C19H17FN4O3S.Na/c20-12-5-10-14(24(9-1-2-9)7-11(17(10)25)18(26)27)6-15(12)23-4-3-13-16(8-23)28-19(21)22-13;/h5-7,9H,1-4,8H2,(H2,21,22)(H,26,27);/q;+1/p-1
InChIKeyLRDGNKUDGQKWOY-UHFFFAOYSA-M
XLogP-1.56
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-7-[4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 44590310
7-bromo-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 19807250
(2S)-2-amino-4-methylpentanoate;1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate;oxygen(2-);vanadium(4+)
CID 25154790
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415
1-cyclopropyl-6-fluoro-7-(3-methyl-4-oxo-3,5,7,8-tetrahydro-2H-thiopyrano[3,2-c]pyridin-6-yl)-4-oxoquinoline-3-carboxylic acid
CID 46832220
7-[(3S)-3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67727084
7-[(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10021363
1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrate;dihydrochloride
CID 66976850
1-cyclopropyl-6-fluoro-4-oxo-7-[(3R)-3-sulfanylpyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 18631753
1-cyclopropyl-6-fluoro-7-(3-hydroxy-3-methylazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10336845
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 15670687

Frequently Asked Questions

What is the IUPAC name of sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The IUPAC name of sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate (CID 23671555) is sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The canonical SMILES for sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is Nc1nc2c(s1)CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3C1CC1)CC2.[Na+].
What is the InChIKey of sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
The InChIKey is LRDGNKUDGQKWOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17FN4O3S.Na/c20-12-5-10-14(24(9-1-2-9)7-11(17(10)25)18(26)27)6-15(12)23-4-3-13-16(8-23)28-19(21)22-13;/h5-7,9H,1-4,8H2,(H2,21,22)(H,26,27);/q;+1/p-1.
What are the key properties of sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate?
sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate has a molecular weight of 422.42 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 7-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 23671555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).