N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide

C22H19N9 — CID 137255120

About N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide

N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide (PubChem CID 137255120) has the molecular formula C22H19N9 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide.

Molecular Properties

• Compound Name: N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide
• PubChem CID: 137255120
• Molecular Formula: C22H19N9
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.18
• IUPAC Name: N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide
• SMILES: C=N/C=N/C=C(\C)c1ccc2[nH]nc(-c3nc4c(-n5cnc(C)c5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C22H19N9/c1-13(9-24-11-23-3)15-4-5-17-16(8-15)19(30-29-17)21-27-18-6-7-25-22(20(18)28-21)31-10-14(2)26-12-31/h4-12H,3H2,1-2H3,(H,27,28)(H,29,30)/b13-9+,24-11+
• InChIKey: IFOVPOYRDFLONO-JJTBCSDUSA-N
• XLogP: 4.09
• TPSA: 112.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide?

The IUPAC name of N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide (CID 137255120) is N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide.

What is the SMILES notation for N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide?

The canonical SMILES for N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide is C=N/C=N/C=C(\C)c1ccc2[nH]nc(-c3nc4c(-n5cnc(C)c5)nccc4[nH]3)c2c1.

What is the InChIKey of N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide?

The InChIKey is IFOVPOYRDFLONO-JJTBCSDUSA-N. The full InChI is InChI=1S/C22H19N9/c1-13(9-24-11-23-3)15-4-5-17-16(8-15)19(30-29-17)21-27-18-6-7-25-22(20(18)28-21)31-10-14(2)26-12-31/h4-12H,3H2,1-2H3,(H,27,28)(H,29,30)/b13-9+,24-11+.

What are the key properties of N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide?

N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide has a molecular weight of 409.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylidene-N'-[(E)-2-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]prop-1-enyl]methanimidamide is sourced from PubChem (CID 137255120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).