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

C29H26FN9 — CID 137056430

About 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137056430) has the molecular formula C29H26FN9 and a molecular weight of 519.59 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137056430
• Molecular Formula: C29H26FN9
• Molecular Weight: 519.59 g/mol
• Exact Mass: 519.23
• IUPAC Name: 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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(-c3nc4nccc(-c5ccncc5)c4[nH]3)c12
• InChI: InChI=1S/C29H26FN9/c30-24-22(20-11-18(14-33-15-20)13-32-12-17-3-1-2-4-17)16-35-27-23(24)26(38-39-27)29-36-25-21(7-10-34-28(25)37-29)19-5-8-31-9-6-19/h5-11,14-17,32H,1-4,12-13H2,(H,34,36,37)(H,35,38,39)
• InChIKey: IZDKUWSGNCNWGV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.59
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine (CID 137056430) is 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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-(7-pyridin-4-yl-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-(7-pyridin-4-yl-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(-c3nc4nccc(-c5ccncc5)c4[nH]3)c12.

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

The InChIKey is IZDKUWSGNCNWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN9/c30-24-22(20-11-18(14-33-15-20)13-32-12-17-3-1-2-4-17)16-35-27-23(24)26(38-39-27)29-36-25-21(7-10-34-28(25)37-29)19-5-8-31-9-6-19/h5-11,14-17,32H,1-4,12-13H2,(H,34,36,37)(H,35,38,39).

What are the key properties of 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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-(7-pyridin-4-yl-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 519.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[[5-[4-fluoro-3-(7-pyridin-4-yl-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 137056430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).