1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

C30H26F2N8 — CID 137055812

About 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine

1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137055812) has the molecular formula C30H26F2N8 and a molecular weight of 536.59 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137055812
• Molecular Formula: C30H26F2N8
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.22
• IUPAC Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: Fc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)c(F)c45)[nH]c23)cc1
• InChI: InChI=1S/C30H26F2N8/c31-21-7-5-19(6-8-21)22-9-10-35-29-27(22)37-30(38-29)28-24-23(39-40-28)16-36-26(25(24)32)20-11-18(14-34-15-20)13-33-12-17-3-1-2-4-17/h5-11,14-17,33H,1-4,12-13H2,(H,39,40)(H,35,37,38)
• InChIKey: NELJCQVAEIBORB-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 108.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	6.18
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-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

The IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137055812) is 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is Fc1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCC7CCCC7)c6)c(F)c45)[nH]c23)cc1.

What is the InChIKey of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

The InChIKey is NELJCQVAEIBORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N8/c31-21-7-5-19(6-8-21)22-9-10-35-29-27(22)37-30(38-29)28-24-23(39-40-28)16-36-26(25(24)32)20-11-18(14-34-15-20)13-33-12-17-3-1-2-4-17/h5-11,14-17,33H,1-4,12-13H2,(H,39,40)(H,35,37,38).

What are the key properties of 1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine?

1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 536.59 g/mol, XLogP of 6.18, 7 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-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137055812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).