3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol

C21H21N5O — CID 10361101

About 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol

3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol (PubChem CID 10361101) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol
• PubChem CID: 10361101
• Molecular Formula: C21H21N5O
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.17
• IUPAC Name: 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol
• SMILES: OCCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21
• InChI: InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2
• InChIKey: SYCWRTUPLPDKDX-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol?

The IUPAC name of 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol (CID 10361101) is 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol.

What is the SMILES notation for 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol?

The canonical SMILES for 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol is OCCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21.

What is the InChIKey of 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol?

The InChIKey is SYCWRTUPLPDKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-12-4-10-25-14-23-16-8-7-15(13-19(16)25)20-18-6-3-11-26(18)24-21(20)17-5-1-2-9-22-17/h1-2,5,7-9,13-14,27H,3-4,6,10-12H2.

What are the key properties of 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol?

3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 359.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 10361101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).