N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C29H24N10 — CID 137055584

About N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137055584) has the molecular formula C29H24N10 and a molecular weight of 512.58 g/mol. Its IUPAC name is N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 137055584
• Molecular Formula: C29H24N10
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.22
• IUPAC Name: N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C29H24N10/c1-18-16-39(17-34-18)25-7-8-32-28-27(25)35-29(36-28)26-22-10-23(33-15-24(22)37-38-26)21-9-20(13-31-14-21)12-30-11-19-5-3-2-4-6-19/h2-10,13-17,30H,11-12H2,1H3,(H,37,38)(H,32,35,36)
• InChIKey: LPNKYVTYWZGIOU-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine?

The IUPAC name of N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137055584) is N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

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

The canonical SMILES for N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CNCc7ccccc7)c6)cc45)[nH]c23)cn1.

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

The InChIKey is LPNKYVTYWZGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N10/c1-18-16-39(17-34-18)25-7-8-32-28-27(25)35-29(36-28)26-22-10-23(33-15-24(22)37-38-26)21-9-20(13-31-14-21)12-30-11-19-5-3-2-4-6-19/h2-10,13-17,30H,11-12H2,1H3,(H,37,38)(H,32,35,36).

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

N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 512.58 g/mol, XLogP of 4.74, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137055584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).