7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

C16H16FN5O2S — CID 21294379

IUPAC7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1
InChIInChI=1S/C16H16FN5O2S/c17-10-5-9-12(23)11-15(24)20-25-16(11)22(8-1-2-8)13(9)19-14(10)21-4-3-7(18)6-21/h5,7-8H,1-4,6,18H2,(H,20,24)
InChIKeyGLUDINQIWRJZIU-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.31
Rot. Bonds2

About 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 21294379) has the molecular formula C16H16FN5O2S and a molecular weight of 361.40 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID21294379
Molecular FormulaC16H16FN5O2S
Molecular Weight361.40 g/mol
Exact Mass361.10
IUPAC Name7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1
InChIInChI=1S/C16H16FN5O2S/c17-10-5-9-12(23)11-15(24)20-25-16(11)22(8-1-2-8)13(9)19-14(10)21-4-3-7(18)6-21/h5,7-8H,1-4,6,18H2,(H,20,24)
InChIKeyGLUDINQIWRJZIU-UHFFFAOYSA-N
XLogP1.31
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 21294379) is 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is NC1CCN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]sc2n3C2CC2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is GLUDINQIWRJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2S/c17-10-5-9-12(23)11-15(24)20-25-16(11)22(8-1-2-8)13(9)19-14(10)21-4-3-7(18)6-21/h5,7-8H,1-4,6,18H2,(H,20,24).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 361.40 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 21294379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).