N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide

C25H27ClFN7O4S — CID 71263099

IUPACN-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)c1c(N2CCNS2(=O)=O)c2cc(C)c(F)cc2n1Cc1cc2c(NC(=O)CN(C)C)n[nH]c2cc1Cl
InChIInChI=1S/C25H27ClFN7O4S/c1-13-7-17-21(10-19(13)27)33(23(14(2)35)24(17)34-6-5-28-39(34,37)38)11-15-8-16-20(9-18(15)26)30-31-25(16)29-22(36)12-32(3)4/h7-10,28H,5-6,11-12H2,1-4H3,(H2,29,30,31,36)
InChIKeyYEQXCCSLSDHLEW-UHFFFAOYSA-N
MW576.05 g/mol
LogP3.02
Rot. Bonds7

About N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide

N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide (PubChem CID 71263099) has the molecular formula C25H27ClFN7O4S and a molecular weight of 576.05 g/mol. Its IUPAC name is N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide
PubChem CID71263099
Molecular FormulaC25H27ClFN7O4S
Molecular Weight576.05 g/mol
Exact Mass575.15
IUPAC NameN-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)c1c(N2CCNS2(=O)=O)c2cc(C)c(F)cc2n1Cc1cc2c(NC(=O)CN(C)C)n[nH]c2cc1Cl
InChIInChI=1S/C25H27ClFN7O4S/c1-13-7-17-21(10-19(13)27)33(23(14(2)35)24(17)34-6-5-28-39(34,37)38)11-15-8-16-20(9-18(15)26)30-31-25(16)29-22(36)12-32(3)4/h7-10,28H,5-6,11-12H2,1-4H3,(H2,29,30,31,36)
InChIKeyYEQXCCSLSDHLEW-UHFFFAOYSA-N
XLogP3.02
TPSA132.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.05
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide (CID 71263099) is N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide is CC(=O)c1c(N2CCNS2(=O)=O)c2cc(C)c(F)cc2n1Cc1cc2c(NC(=O)CN(C)C)n[nH]c2cc1Cl.
What is the InChIKey of N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide?
The InChIKey is YEQXCCSLSDHLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN7O4S/c1-13-7-17-21(10-19(13)27)33(23(14(2)35)24(17)34-6-5-28-39(34,37)38)11-15-8-16-20(9-18(15)26)30-31-25(16)29-22(36)12-32(3)4/h7-10,28H,5-6,11-12H2,1-4H3,(H2,29,30,31,36).
What are the key properties of N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide?
N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide has a molecular weight of 576.05 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-acetyl-3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-6-fluoro-5-methylindol-1-yl]methyl]-6-chloro-1H-indazol-3-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 71263099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).