3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C28H26FN7 — CID 137032845

About 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137032845) has the molecular formula C28H26FN7 and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137032845
• Molecular Formula: C28H26FN7
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.22
• IUPAC Name: 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: C/C=C(/c1ccc(F)cc1)c1cnc(-c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)nc23)[nH]1
• InChI: InChI=1S/C28H26FN7/c1-2-22(19-5-7-21(29)8-6-19)25-16-31-28(33-25)27-26-24(34-35-27)10-9-23(32-26)20-13-18(14-30-15-20)17-36-11-3-4-12-36/h2,5-10,13-16H,3-4,11-12,17H2,1H3,(H,31,33)(H,34,35)/b22-2-
• InChIKey: FFIKGIXRNXMSPA-KJDXXRKVSA-N
• XLogP: 5.60
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137032845) is 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is C/C=C(/c1ccc(F)cc1)c1cnc(-c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)nc23)[nH]1.

What is the InChIKey of 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is FFIKGIXRNXMSPA-KJDXXRKVSA-N. The full InChI is InChI=1S/C28H26FN7/c1-2-22(19-5-7-21(29)8-6-19)25-16-31-28(33-25)27-26-24(34-35-27)10-9-23(32-26)20-13-18(14-30-15-20)17-36-11-3-4-12-36/h2,5-10,13-16H,3-4,11-12,17H2,1H3,(H,31,33)(H,34,35)/b22-2-.

What are the key properties of 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 479.56 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-1H-imidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137032845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).