5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine

C30H23F3N6 — CID 137114350

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137114350) has the molecular formula C30H23F3N6 and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137114350
• Molecular Formula: C30H23F3N6
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.19
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)cc23)c1
• InChI: InChI=1S/C30H23F3N6/c31-21-4-1-3-19(12-21)22-5-2-6-25-23(22)13-27(35-25)29-28-26(37-38-29)8-7-24(36-28)20-11-18(14-34-15-20)16-39-10-9-30(32,33)17-39/h1-8,11-15,35H,9-10,16-17H2,(H,37,38)
• InChIKey: LKAUKOVUNFZEBX-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine (CID 137114350) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine is Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCC(F)(F)C7)c6)nc45)cc23)c1.

What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is LKAUKOVUNFZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6/c31-21-4-1-3-19(12-21)22-5-2-6-25-23(22)13-27(35-25)29-28-26(37-38-29)8-7-24(36-28)20-11-18(14-34-15-20)16-39-10-9-30(32,33)17-39/h1-8,11-15,35H,9-10,16-17H2,(H,37,38).

What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine?

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 524.55 g/mol, XLogP of 6.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137114350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).