3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

C24H25N5O2S — CID 124941306

About 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 124941306) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• PubChem CID: 124941306
• Molecular Formula: C24H25N5O2S
• Molecular Weight: 447.56 g/mol
• Exact Mass: 447.17
• IUPAC Name: 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
• SMILES: Cc1cnc2c(C(=O)N3CC[C@H](c4c(C(=O)NC(C)C)sc5ccccc45)C3)cnn2c1
• InChI: InChI=1S/C24H25N5O2S/c1-14(2)27-23(30)21-20(17-6-4-5-7-19(17)32-21)16-8-9-28(13-16)24(31)18-11-26-29-12-15(3)10-25-22(18)29/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,27,30)/t16-/m0/s1
• InChIKey: AMGZXYHUDADUNC-INIZCTEOSA-N
• XLogP: 4.02
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The IUPAC name of 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 124941306) is 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is Cc1cnc2c(C(=O)N3CC[C@H](c4c(C(=O)NC(C)C)sc5ccccc45)C3)cnn2c1.

What is the InChIKey of 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

The InChIKey is AMGZXYHUDADUNC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-14(2)27-23(30)21-20(17-6-4-5-7-19(17)32-21)16-8-9-28(13-16)24(31)18-11-26-29-12-15(3)10-25-22(18)29/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,27,30)/t16-/m0/s1.

What are the key properties of 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide?

3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidin-3-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 124941306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).