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

C24H23FN8 — CID 137056582

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

1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137056582) has the molecular formula C24H23FN8 and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137056582
• Molecular Formula: C24H23FN8
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.20
• IUPAC Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1c(-c2cncc(CNCC3CCCC3)c2)cnc2n[nH]c(-c3nc4ncccc4[nH]3)c12
• InChI: InChI=1S/C24H23FN8/c25-20-17(16-8-15(11-27-12-16)10-26-9-14-4-1-2-5-14)13-29-23-19(20)21(32-33-23)24-30-18-6-3-7-28-22(18)31-24/h3,6-8,11-14,26H,1-2,4-5,9-10H2,(H,28,30,31)(H,29,32,33)
• InChIKey: LUJMWBWZXUHLBY-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137056582) is 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

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

The canonical SMILES for 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is Fc1c(-c2cncc(CNCC3CCCC3)c2)cnc2n[nH]c(-c3nc4ncccc4[nH]3)c12.

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

The InChIKey is LUJMWBWZXUHLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8/c25-20-17(16-8-15(11-27-12-16)10-26-9-14-4-1-2-5-14)13-29-23-19(20)21(32-33-23)24-30-18-6-3-7-28-22(18)31-24/h3,6-8,11-14,26H,1-2,4-5,9-10H2,(H,28,30,31)(H,29,32,33).

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

1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 442.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137056582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).