2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole

C25H25N7O — CID 137032951

About 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole

2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole (PubChem CID 137032951) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole.

Molecular Properties

• Compound Name: 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole
• PubChem CID: 137032951
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4nc5c([nH]4)CC=CC=C5N4CCCCC4)c3n2)c1
• InChI: InChI=1S/C25H25N7O/c1-33-17-13-16(14-26-15-17)18-9-10-20-23(27-18)24(31-30-20)25-28-19-7-3-4-8-21(22(19)29-25)32-11-5-2-6-12-32/h3-4,8-10,13-15H,2,5-7,11-12H2,1H3,(H,28,29)(H,30,31)
• InChIKey: XPKNTFACDUCGAJ-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole?

The IUPAC name of 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole (CID 137032951) is 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole.

What is the SMILES notation for 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole?

The canonical SMILES for 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole is COc1cncc(-c2ccc3[nH]nc(-c4nc5c([nH]4)CC=CC=C5N4CCCCC4)c3n2)c1.

What is the InChIKey of 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole?

The InChIKey is XPKNTFACDUCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-33-17-13-16(14-26-15-17)18-9-10-20-23(27-18)24(31-30-20)25-28-19-7-3-4-8-21(22(19)29-25)32-11-5-2-6-12-32/h3-4,8-10,13-15H,2,5-7,11-12H2,1H3,(H,28,29)(H,30,31).

What are the key properties of 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole?

2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole has a molecular weight of 439.52 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-piperidin-1-yl-1,8-dihydrocyclohepta[d]imidazole is sourced from PubChem (CID 137032951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).