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

C22H23N5O — CID 11740079

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

3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol (PubChem CID 11740079) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol
• PubChem CID: 11740079
• Molecular Formula: C22H23N5O
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.19
• IUPAC Name: 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol
• SMILES: Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCO)c4c2)CCC3)n1
• InChI: InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3
• InChIKey: QLCHJBPDLYRMBA-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol (CID 11740079) is 3-[6-[2-(6-methyl-2-pyridinyl)-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-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol?

The canonical SMILES for 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol is Cc1cccc(-c2nn3c(c2-c2ccc4ncn(CCCO)c4c2)CCC3)n1.

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

The InChIKey is QLCHJBPDLYRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15-5-2-6-18(24-15)22-21(19-7-3-11-27(19)25-22)16-8-9-17-20(13-16)26(14-23-17)10-4-12-28/h2,5-6,8-9,13-14,28H,3-4,7,10-12H2,1H3.

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

3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol has a molecular weight of 373.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 11740079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).