7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one

C44H45N9O4 — CID 155205978

About 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one

7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 155205978) has the molecular formula C44H45N9O4 and a molecular weight of 763.90 g/mol. Its IUPAC name is 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

• Compound Name: 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
• PubChem CID: 155205978
• Molecular Formula: C44H45N9O4
• Molecular Weight: 763.90 g/mol
• Exact Mass: 763.36
• IUPAC Name: 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one
• SMILES: Cc1ccc(-c2cncc(C(=O)N3CCC(C(=O)N4CCC(O)(Cn5cnn6c(-c7ccc8c(c7)CC(N)C8)cnc6c5=O)CC4)C(c4ccccc4)C3)c2)cn1
• InChI: InChI=1S/C44H45N9O4/c1-28-7-8-32(23-47-28)34-18-35(22-46-21-34)41(54)51-14-11-37(38(25-51)29-5-3-2-4-6-29)42(55)50-15-12-44(57,13-16-50)26-52-27-49-53-39(24-48-40(53)43(52)56)31-10-9-30-19-36(45)20-33(30)17-31/h2-10,17-18,21-24,27,36-38,57H,11-16,19-20,25-26,45H2,1H3
• InChIKey: UTVGTQHLOWZENM-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 164.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.90
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?

The IUPAC name of 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one (CID 155205978) is 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one.

What is the SMILES notation for 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?

The canonical SMILES for 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one is Cc1ccc(-c2cncc(C(=O)N3CCC(C(=O)N4CCC(O)(Cn5cnn6c(-c7ccc8c(c7)CC(N)C8)cnc6c5=O)CC4)C(c4ccccc4)C3)c2)cn1.

What is the InChIKey of 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?

The InChIKey is UTVGTQHLOWZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N9O4/c1-28-7-8-32(23-47-28)34-18-35(22-46-21-34)41(54)51-14-11-37(38(25-51)29-5-3-2-4-6-29)42(55)50-15-12-44(57,13-16-50)26-52-27-49-53-39(24-48-40(53)43(52)56)31-10-9-30-19-36(45)20-33(30)17-31/h2-10,17-18,21-24,27,36-38,57H,11-16,19-20,25-26,45H2,1H3.

What are the key properties of 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one?

7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 763.90 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-2,3-dihydro-1H-inden-5-yl)-3-[[4-hydroxy-1-[1-[5-(6-methyl-3-pyridinyl)pyridine-3-carbonyl]-3-phenylpiperidine-4-carbonyl]piperidin-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 155205978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).