3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide

C17H26N6O — CID 92552232

About 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide

3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide (PubChem CID 92552232) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
• PubChem CID: 92552232
• Molecular Formula: C17H26N6O
• Molecular Weight: 330.44 g/mol
• Exact Mass: 330.22
• IUPAC Name: 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
• SMILES: CC(C)(C)CC(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21
• InChI: InChI=1S/C17H26N6O/c1-17(2,3)10-13(24)19-8-9-23-16-15(20-6-7-21-16)14(22-23)12-4-5-18-11-12/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,19,24)/t12-/m0/s1
• InChIKey: WOZJBTUKULUYSW-LBPRGKRZSA-N
• XLogP: 1.46
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.44
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide?

The IUPAC name of 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide (CID 92552232) is 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide.

What is the SMILES notation for 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide?

The canonical SMILES for 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide is CC(C)(C)CC(=O)NCCn1nc([C@H]2CCNC2)c2nccnc21.

What is the InChIKey of 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide?

The InChIKey is WOZJBTUKULUYSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N6O/c1-17(2,3)10-13(24)19-8-9-23-16-15(20-6-7-21-16)14(22-23)12-4-5-18-11-12/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,19,24)/t12-/m0/s1.

What are the key properties of 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide?

3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide has a molecular weight of 330.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 92552232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).