3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

C25H34N6O — CID 110087940

About 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (PubChem CID 110087940) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

Molecular Properties

• Compound Name: 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
• PubChem CID: 110087940
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
• SMILES: CCCNC(=O)CCc1c(C)nc2cc(C3CCCN3Cc3ncccc3C)nn2c1C
• InChI: InChI=1S/C25H34N6O/c1-5-12-27-25(32)11-10-20-18(3)28-24-15-21(29-31(24)19(20)4)23-9-7-14-30(23)16-22-17(2)8-6-13-26-22/h6,8,13,15,23H,5,7,9-12,14,16H2,1-4H3,(H,27,32)
• InChIKey: RUDVPJVIWXULPB-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The IUPAC name of 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (CID 110087940) is 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

What is the SMILES notation for 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The canonical SMILES for 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(C)nc2cc(C3CCCN3Cc3ncccc3C)nn2c1C.

What is the InChIKey of 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

The InChIKey is RUDVPJVIWXULPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-5-12-27-25(32)11-10-20-18(3)28-24-15-21(29-31(24)19(20)4)23-9-7-14-30(23)16-22-17(2)8-6-13-26-22/h6,8,13,15,23H,5,7,9-12,14,16H2,1-4H3,(H,27,32).

What are the key properties of 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?

3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide has a molecular weight of 434.59 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is sourced from PubChem (CID 110087940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).