N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide

C23H21N5O3S — CID 10297469

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C23H21N5O3S/c29-22(14-16-2-4-17(5-3-16)18-8-10-24-11-9-18)25-23-20-15-19(6-7-21(20)26-27-23)28-12-1-13-32(28,30)31/h2-11,15H,1,12-14H2,(H2,25,26,27,29)
InChIKeyKAQTYVZQFWHKBB-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.35
Rot. Bonds5

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide (PubChem CID 10297469) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide
PubChem CID10297469
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccncc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C23H21N5O3S/c29-22(14-16-2-4-17(5-3-16)18-8-10-24-11-9-18)25-23-20-15-19(6-7-21(20)26-27-23)28-12-1-13-32(28,30)31/h2-11,15H,1,12-14H2,(H2,25,26,27,29)
InChIKeyKAQTYVZQFWHKBB-UHFFFAOYSA-N
XLogP3.35
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide (CID 10297469) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide is O=C(Cc1ccc(-c2ccncc2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
The InChIKey is KAQTYVZQFWHKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-22(14-16-2-4-17(5-3-16)18-8-10-24-11-9-18)25-23-20-15-19(6-7-21(20)26-27-23)28-12-1-13-32(28,30)31/h2-11,15H,1,12-14H2,(H2,25,26,27,29).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide has a molecular weight of 447.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 10297469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).