5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine

C23H19N9 — CID 137292850

About 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine

5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine (PubChem CID 137292850) has the molecular formula C23H19N9 and a molecular weight of 421.47 g/mol. Its IUPAC name is 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine
• PubChem CID: 137292850
• Molecular Formula: C23H19N9
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.18
• IUPAC Name: 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine
• SMILES: C=c1[nH]nc(-c2nc3c(-c4ccncc4)cncc3[nH]2)/c1=C/C(=N/C)c1cncc(N)c1
• InChI: InChI=1S/C23H19N9/c1-13-17(8-19(25-2)15-7-16(24)10-27-9-15)22(32-31-13)23-29-20-12-28-11-18(21(20)30-23)14-3-5-26-6-4-14/h3-12,31H,1,24H2,2H3,(H,29,30)/b17-8+,25-19-
• InChIKey: CCXRQTYPVUXJEJ-ZXVQWTHISA-N
• XLogP: 1.70
• TPSA: 134.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine?

The IUPAC name of 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine (CID 137292850) is 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine.

What is the SMILES notation for 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine?

The canonical SMILES for 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine is C=c1[nH]nc(-c2nc3c(-c4ccncc4)cncc3[nH]2)/c1=C/C(=N/C)c1cncc(N)c1.

What is the InChIKey of 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine?

The InChIKey is CCXRQTYPVUXJEJ-ZXVQWTHISA-N. The full InChI is InChI=1S/C23H19N9/c1-13-17(8-19(25-2)15-7-16(24)10-27-9-15)22(32-31-13)23-29-20-12-28-11-18(21(20)30-23)14-3-5-26-6-4-14/h3-12,31H,1,24H2,2H3,(H,29,30)/b17-8+,25-19-.

What are the key properties of 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine?

5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine has a molecular weight of 421.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[N-methyl-C-[(E)-[5-methylidene-3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]methyl]carbonimidoyl]pyridin-3-amine is sourced from PubChem (CID 137292850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).