1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

C23H24N6OS — CID 95835239

About 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 95835239) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
• PubChem CID: 95835239
• Molecular Formula: C23H24N6OS
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.17
• IUPAC Name: 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
• SMILES: CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)s1
• InChI: InChI=1S/C23H24N6OS/c1-2-21-27-28-23(31-21)26-20-11-5-9-18(25-20)19-10-6-12-29(19)22(30)13-15-14-24-17-8-4-3-7-16(15)17/h3-5,7-9,11,14,19,24H,2,6,10,12-13H2,1H3,(H,25,26,28)/t19-/m1/s1
• InChIKey: ICJPKFRGWFRIIP-LJQANCHMSA-N
• XLogP: 4.63
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?

The IUPAC name of 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 95835239) is 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.

What is the SMILES notation for 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?

The canonical SMILES for 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)s1.

What is the InChIKey of 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?

The InChIKey is ICJPKFRGWFRIIP-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-2-21-27-28-23(31-21)26-20-11-5-9-18(25-20)19-10-6-12-29(19)22(30)13-15-14-24-17-8-4-3-7-16(15)17/h3-5,7-9,11,14,19,24H,2,6,10,12-13H2,1H3,(H,25,26,28)/t19-/m1/s1.

What are the key properties of 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?

1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 432.55 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 95835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).