N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide

C43H36N6O — CID 155166324

About N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide

N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide (PubChem CID 155166324) has the molecular formula C43H36N6O and a molecular weight of 652.80 g/mol. Its IUPAC name is N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide
• PubChem CID: 155166324
• Molecular Formula: C43H36N6O
• Molecular Weight: 652.80 g/mol
• Exact Mass: 652.30
• IUPAC Name: N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide
• SMILES: C[C@H](Cc1ccccc1)NC(=O)c1nc2cc3c(-c4ccncc4)[nH]n(CC(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2n1
• InChI: InChI=1S/C43H36N6O/c1-30(26-31-14-6-2-7-15-31)45-42(50)41-46-37-27-36-39(28-38(37)47-41)49(48-40(36)32-22-24-44-25-23-32)29-43(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35/h2-25,27-28,30,48H,26,29H2,1H3,(H,45,50)/t30-/m1/s1
• InChIKey: KJHDIGKYHSEASY-SSEXGKCCSA-N
• XLogP: 8.37
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.80
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide?

The IUPAC name of N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide (CID 155166324) is N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide.

What is the SMILES notation for N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide?

The canonical SMILES for N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide is C[C@H](Cc1ccccc1)NC(=O)c1nc2cc3c(-c4ccncc4)[nH]n(CC(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2n1.

What is the InChIKey of N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide?

The InChIKey is KJHDIGKYHSEASY-SSEXGKCCSA-N. The full InChI is InChI=1S/C43H36N6O/c1-30(26-31-14-6-2-7-15-31)45-42(50)41-46-37-27-36-39(28-38(37)47-41)49(48-40(36)32-22-24-44-25-23-32)29-43(33-16-8-3-9-17-33,34-18-10-4-11-19-34)35-20-12-5-13-21-35/h2-25,27-28,30,48H,26,29H2,1H3,(H,45,50)/t30-/m1/s1.

What are the key properties of N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide?

N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide has a molecular weight of 652.80 g/mol, XLogP of 8.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-phenylpropan-2-yl]-3-pyridin-4-yl-1-(2,2,2-triphenylethyl)-2H-imidazo[4,5-f]indazole-6-carboxamide is sourced from PubChem (CID 155166324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).