N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

C22H26N4O3S — CID 102561735

About N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 102561735) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
• PubChem CID: 102561735
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
• SMILES: CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(OCc2csc(C)n2)C1
• InChI: InChI=1S/C22H26N4O3S/c1-14(27)24-21(9-16-10-23-20-6-4-3-5-19(16)20)22(28)26-8-7-18(11-26)29-12-17-13-30-15(2)25-17/h3-6,10,13,18,21,23H,7-9,11-12H2,1-2H3,(H,24,27)
• InChIKey: ZOACDGPORQIKFI-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?

The IUPAC name of N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 102561735) is N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?

The canonical SMILES for N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(OCc2csc(C)n2)C1.

What is the InChIKey of N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?

The InChIKey is ZOACDGPORQIKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14(27)24-21(9-16-10-23-20-6-4-3-5-19(16)20)22(28)26-8-7-18(11-26)29-12-17-13-30-15(2)25-17/h3-6,10,13,18,21,23H,7-9,11-12H2,1-2H3,(H,24,27).

What are the key properties of N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?

N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 102561735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).