N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide

C30H32N8O — CID 129126559

About N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide

N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 129126559) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 129126559
• Molecular Formula: C30H32N8O
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.27
• IUPAC Name: N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: CN1CCN(c2cncc3[nH]c(C4=NCCCc5ccc(-c6cncc(NC(=O)C7CC7)c6)cc54)nc23)CC1
• InChI: InChI=1S/C30H32N8O/c1-37-9-11-38(12-10-37)26-18-32-17-25-28(26)36-29(35-25)27-24-14-21(7-4-19(24)3-2-8-33-27)22-13-23(16-31-15-22)34-30(39)20-5-6-20/h4,7,13-18,20H,2-3,5-6,8-12H2,1H3,(H,34,39)(H,35,36)
• InChIKey: YFNKITCJTPUWNW-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 102.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 129126559) is N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide is CN1CCN(c2cncc3[nH]c(C4=NCCCc5ccc(-c6cncc(NC(=O)C7CC7)c6)cc54)nc23)CC1.

What is the InChIKey of N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide?

The InChIKey is YFNKITCJTPUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/c1-37-9-11-38(12-10-37)26-18-32-17-25-28(26)36-29(35-25)27-24-14-21(7-4-19(24)3-2-8-33-27)22-13-23(16-31-15-22)34-30(39)20-5-6-20/h4,7,13-18,20H,2-3,5-6,8-12H2,1H3,(H,34,39)(H,35,36).

What are the key properties of N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide?

N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 520.64 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4,5-dihydro-3H-2-benzazepin-8-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 129126559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).