3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C23H23N5O2S — CID 125011374

About 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 125011374) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• PubChem CID: 125011374
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• SMILES: CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cn3cccnc3n2)C1
• InChI: InChI=1S/C23H23N5O2S/c1-14(2)25-21(29)20-19(16-6-3-4-7-18(16)31-20)15-8-11-27(12-15)22(30)17-13-28-10-5-9-24-23(28)26-17/h3-7,9-10,13-15H,8,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1
• InChIKey: VPROHVLUFGDXOB-HNNXBMFYSA-N
• XLogP: 3.71
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 125011374) is 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cn3cccnc3n2)C1.

What is the InChIKey of 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The InChIKey is VPROHVLUFGDXOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14(2)25-21(29)20-19(16-6-3-4-7-18(16)31-20)15-8-11-27(12-15)22(30)17-13-28-10-5-9-24-23(28)26-17/h3-7,9-10,13-15H,8,11-12H2,1-2H3,(H,25,29)/t15-/m0/s1.

What are the key properties of 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 125011374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).