N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C51H42N14O3 — CID 137106980

About N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 137106980) has the molecular formula C51H42N14O3 and a molecular weight of 898.99 g/mol. Its IUPAC name is N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 137106980
• Molecular Formula: C51H42N14O3
• Molecular Weight: 898.99 g/mol
• Exact Mass: 898.36
• IUPAC Name: N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: [H]/N=C(\c1nc2c(-c3cocc3-c3cc(-c4cncc(NC(=O)C(C)C)c4)cc4c(-c5nc6c(-c7ccoc7)cncc6[nH]5)n[nH]c34)cncc2[nH]1)c1cc(-c2cncc(CN(C)C)c2)ccc1N
• InChI: InChI=1S/C51H42N14O3/c1-26(2)51(66)58-33-10-32(16-55-17-33)30-12-34(45-36(13-30)48(64-63-45)50-60-42-20-56-18-37(46(42)62-50)29-7-8-67-23-29)39-24-68-25-40(39)38-19-57-21-43-47(38)61-49(59-43)44(53)35-11-28(5-6-41(35)52)31-9-27(14-54-15-31)22-65(3)4/h5-21,23-26,53H,22,52H2,1-4H3,(H,58,66)(H,59,61)(H,60,62)(H,63,64)/b53-44-
• InChIKey: JXRHHTLGHFAQGM-VIVIGYJNSA-N
• XLogP: 9.74
• TPSA: 246.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	898.99
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 137106980) is N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is [H]/N=C(\c1nc2c(-c3cocc3-c3cc(-c4cncc(NC(=O)C(C)C)c4)cc4c(-c5nc6c(-c7ccoc7)cncc6[nH]5)n[nH]c34)cncc2[nH]1)c1cc(-c2cncc(CN(C)C)c2)ccc1N.

What is the InChIKey of N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

The InChIKey is JXRHHTLGHFAQGM-VIVIGYJNSA-N. The full InChI is InChI=1S/C51H42N14O3/c1-26(2)51(66)58-33-10-32(16-55-17-33)30-12-34(45-36(13-30)48(64-63-45)50-60-42-20-56-18-37(46(42)62-50)29-7-8-67-23-29)39-24-68-25-40(39)38-19-57-21-43-47(38)61-49(59-43)44(53)35-11-28(5-6-41(35)52)31-9-27(14-54-15-31)22-65(3)4/h5-21,23-26,53H,22,52H2,1-4H3,(H,58,66)(H,59,61)(H,60,62)(H,63,64)/b53-44-.

What are the key properties of N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?

N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 898.99 g/mol, XLogP of 9.74, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[4-[2-[2-amino-5-[5-[(dimethylamino)methyl]-3-pyridinyl]benzenecarboximidoyl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 137106980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).