(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide

C25H28FN5O6S — CID 121316458

IUPAC(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide
SMILESCOc1ccc2c(n1)CCN(C(=O)CN1CC(=O)NS1(=O)=O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
InChIInChI=1S/C25H28FN5O6S/c1-25(2)8-6-14-10-15(11-17(26)22(14)25)27-24(34)23-16-4-5-20(37-3)28-18(16)7-9-31(23)21(33)13-30-12-19(32)29-38(30,35)36/h4-5,10-11,23H,6-9,12-13H2,1-3H3,(H,27,34)(H,29,32)/t23-/m1/s1
InChIKeyUYESXMNYESBMJH-HSZRJFAPSA-N
MW545.59 g/mol
LogP1.19
Rot. Bonds5

About (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide

(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide (PubChem CID 121316458) has the molecular formula C25H28FN5O6S and a molecular weight of 545.59 g/mol. Its IUPAC name is (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide
PubChem CID121316458
Molecular FormulaC25H28FN5O6S
Molecular Weight545.59 g/mol
Exact Mass545.17
IUPAC Name(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide
SMILESCOc1ccc2c(n1)CCN(C(=O)CN1CC(=O)NS1(=O)=O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C
InChIInChI=1S/C25H28FN5O6S/c1-25(2)8-6-14-10-15(11-17(26)22(14)25)27-24(34)23-16-4-5-20(37-3)28-18(16)7-9-31(23)21(33)13-30-12-19(32)29-38(30,35)36/h4-5,10-11,23H,6-9,12-13H2,1-3H3,(H,27,34)(H,29,32)/t23-/m1/s1
InChIKeyUYESXMNYESBMJH-HSZRJFAPSA-N
XLogP1.19
TPSA138.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.59
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide (CID 121316458) is (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide is COc1ccc2c(n1)CCN(C(=O)CN1CC(=O)NS1(=O)=O)[C@H]2C(=O)Nc1cc(F)c2c(c1)CCC2(C)C.
What is the InChIKey of (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide?
The InChIKey is UYESXMNYESBMJH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28FN5O6S/c1-25(2)8-6-14-10-15(11-17(26)22(14)25)27-24(34)23-16-4-5-20(37-3)28-18(16)7-9-31(23)21(33)13-30-12-19(32)29-38(30,35)36/h4-5,10-11,23H,6-9,12-13H2,1-3H3,(H,27,34)(H,29,32)/t23-/m1/s1.
What are the key properties of (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide?
(5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide has a molecular weight of 545.59 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(7-fluoro-1,1-dimethyl-2,3-dihydroinden-5-yl)-2-methoxy-6-[2-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 121316458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).