N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide

C36H33FN8O2 — CID 177316123

About N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide

N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide (PubChem CID 177316123) has the molecular formula C36H33FN8O2 and a molecular weight of 628.71 g/mol. Its IUPAC name is N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide
• PubChem CID: 177316123
• Molecular Formula: C36H33FN8O2
• Molecular Weight: 628.71 g/mol
• Exact Mass: 628.27
• IUPAC Name: N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide
• SMILES: Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4c(-c5cccnc5N)nc5cnc(-c6ccc(F)cn6)cn45)cc3)CC2)ccc1O
• InChI: InChI=1S/C36H33FN8O2/c1-22-17-25(8-11-31(22)46)36(47)42-27-12-15-44(16-13-27)20-23-4-6-24(7-5-23)34-33(28-3-2-14-39-35(28)38)43-32-19-41-30(21-45(32)34)29-10-9-26(37)18-40-29/h2-11,14,17-19,21,27,46H,12-13,15-16,20H2,1H3,(H2,38,39)(H,42,47)
• InChIKey: JSSAXAZLLSLGPQ-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 134.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.71
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide?

The IUPAC name of N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide (CID 177316123) is N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide.

What is the SMILES notation for N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide?

The canonical SMILES for N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC2CCN(Cc3ccc(-c4c(-c5cccnc5N)nc5cnc(-c6ccc(F)cn6)cn45)cc3)CC2)ccc1O.

What is the InChIKey of N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide?

The InChIKey is JSSAXAZLLSLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN8O2/c1-22-17-25(8-11-31(22)46)36(47)42-27-12-15-44(16-13-27)20-23-4-6-24(7-5-23)34-33(28-3-2-14-39-35(28)38)43-32-19-41-30(21-45(32)34)29-10-9-26(37)18-40-29/h2-11,14,17-19,21,27,46H,12-13,15-16,20H2,1H3,(H2,38,39)(H,42,47).

What are the key properties of N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide?

N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide has a molecular weight of 628.71 g/mol, XLogP of 5.65, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 177316123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).