[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C18H21N5O2 — CID 97325176

About [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 97325176) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
• PubChem CID: 97325176
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
• SMILES: CC(C)n1ncc2c(C(=O)N3CC[C@H](N)C3)cc(-c3ccco3)nc21
• InChI: InChI=1S/C18H21N5O2/c1-11(2)23-17-14(9-20-23)13(18(24)22-6-5-12(19)10-22)8-15(21-17)16-4-3-7-25-16/h3-4,7-9,11-12H,5-6,10,19H2,1-2H3/t12-/m0/s1
• InChIKey: DILPTXKFDCFFTQ-LBPRGKRZSA-N
• XLogP: 2.45
• TPSA: 90.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?

The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 97325176) is [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?

The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is CC(C)n1ncc2c(C(=O)N3CC[C@H](N)C3)cc(-c3ccco3)nc21.

What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?

The InChIKey is DILPTXKFDCFFTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)23-17-14(9-20-23)13(18(24)22-6-5-12(19)10-22)8-15(21-17)16-4-3-7-25-16/h3-4,7-9,11-12H,5-6,10,19H2,1-2H3/t12-/m0/s1.

What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?

[(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 97325176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).