1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C32H29FN6 — CID 137114945

About 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137114945) has the molecular formula C32H29FN6 and a molecular weight of 516.62 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137114945
• Molecular Formula: C32H29FN6
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.24
• IUPAC Name: 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)nc45)cc23)cc1
• InChI: InChI=1S/C32H29FN6/c33-24-10-8-22(9-11-24)25-6-3-7-28-26(25)15-30(36-28)32-31-29(38-39-32)13-12-27(37-31)23-14-21(18-35-19-23)17-34-16-20-4-1-2-5-20/h3,6-15,18-20,34,36H,1-2,4-5,16-17H2,(H,38,39)
• InChIKey: IIIAHYWFIFEMNK-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137114945) is 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

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

The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCC7CCCC7)c6)nc45)cc23)cc1.

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

The InChIKey is IIIAHYWFIFEMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6/c33-24-10-8-22(9-11-24)25-6-3-7-28-26(25)15-30(36-28)32-31-29(38-39-32)13-12-27(37-31)23-14-21(18-35-19-23)17-34-16-20-4-1-2-5-20/h3,6-15,18-20,34,36H,1-2,4-5,16-17H2,(H,38,39).

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

1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 516.62 g/mol, XLogP of 7.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137114945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).