N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide

C25H36N8O2S — CID 177337708

About N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide

N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide (PubChem CID 177337708) has the molecular formula C25H36N8O2S and a molecular weight of 512.68 g/mol. Its IUPAC name is N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide
• PubChem CID: 177337708
• Molecular Formula: C25H36N8O2S
• Molecular Weight: 512.68 g/mol
• Exact Mass: 512.27
• IUPAC Name: N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide
• SMILES: O=C(C[C@@H]1CN(C2CCC3(CCC3)CC2)CCO1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1
• InChI: InChI=1S/C25H36N8O2S/c34-22(15-20-17-32(13-14-35-20)19-4-9-25(10-5-19)7-2-8-25)28-24-31-30-23(36-24)27-18-6-12-33(16-18)21-3-1-11-26-29-21/h1,3,11,18-20H,2,4-10,12-17H2,(H,27,30)(H,28,31,34)/t18-,20-/m1/s1
• InChIKey: CFTLPSRDCSQPJP-UYAOXDASSA-N
• XLogP: 3.16
• TPSA: 108.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.68
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide?

The IUPAC name of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide (CID 177337708) is N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide?

The canonical SMILES for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide is O=C(C[C@@H]1CN(C2CCC3(CCC3)CC2)CCO1)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1.

What is the InChIKey of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide?

The InChIKey is CFTLPSRDCSQPJP-UYAOXDASSA-N. The full InChI is InChI=1S/C25H36N8O2S/c34-22(15-20-17-32(13-14-35-20)19-4-9-25(10-5-19)7-2-8-25)28-24-31-30-23(36-24)27-18-6-12-33(16-18)21-3-1-11-26-29-21/h1,3,11,18-20H,2,4-10,12-17H2,(H,27,30)(H,28,31,34)/t18-,20-/m1/s1.

What are the key properties of N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide?

N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide has a molecular weight of 512.68 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-[(2R)-4-spiro[3.5]nonan-7-ylmorpholin-2-yl]acetamide is sourced from PubChem (CID 177337708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).