3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

C24H24FN5O3S — CID 25260294

IUPAC3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESO=C(NCC1CCCN1)c1c(=O)c2cc(F)c(N3CCOCC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C24H24FN5O3S/c25-16-12-15-20(31)19(23(32)27-13-14-4-3-7-26-14)24-30(17-5-1-2-6-18(17)34-24)21(15)28-22(16)29-8-10-33-11-9-29/h1-2,5-6,12,14,26H,3-4,7-11,13H2,(H,27,32)
InChIKeyHYYDFMPTIRUFPN-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.52
Rot. Bonds4

About 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide

3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 25260294) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID25260294
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
SMILESO=C(NCC1CCCN1)c1c(=O)c2cc(F)c(N3CCOCC3)nc2n2c1sc1ccccc12
InChIInChI=1S/C24H24FN5O3S/c25-16-12-15-20(31)19(23(32)27-13-14-4-3-7-26-14)24-30(17-5-1-2-6-18(17)34-24)21(15)28-22(16)29-8-10-33-11-9-29/h1-2,5-6,12,14,26H,3-4,7-11,13H2,(H,27,32)
InChIKeyHYYDFMPTIRUFPN-UHFFFAOYSA-N
XLogP2.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide (CID 25260294) is 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is O=C(NCC1CCCN1)c1c(=O)c2cc(F)c(N3CCOCC3)nc2n2c1sc1ccccc12.
What is the InChIKey of 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is HYYDFMPTIRUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c25-16-12-15-20(31)19(23(32)27-13-14-4-3-7-26-14)24-30(17-5-1-2-6-18(17)34-24)21(15)28-22(16)29-8-10-33-11-9-29/h1-2,5-6,12,14,26H,3-4,7-11,13H2,(H,27,32).
What are the key properties of 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide?
3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-morpholin-4-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 25260294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).