N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide

C28H33N7O3 — CID 59588503

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59588503) has the molecular formula C28H33N7O3 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 59588503
• Molecular Formula: C28H33N7O3
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.26
• IUPAC Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccc2)nc2c(Nc3cc(N4CCOCC4)ncn3)cccn12
• InChI: InChI=1S/C28H33N7O3/c1-19(2)15-21(17-36)31-28(37)26-25(20-7-4-3-5-8-20)33-27-22(9-6-10-35(26)27)32-23-16-24(30-18-29-23)34-11-13-38-14-12-34/h3-10,16,18-19,21,36H,11-15,17H2,1-2H3,(H,31,37)(H,29,30,32)/t21-/m0/s1
• InChIKey: SKWRVTLHTOLKMK-NRFANRHFSA-N
• XLogP: 3.51
• TPSA: 116.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide (CID 59588503) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccccc2)nc2c(Nc3cc(N4CCOCC4)ncn3)cccn12.

What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is SKWRVTLHTOLKMK-NRFANRHFSA-N. The full InChI is InChI=1S/C28H33N7O3/c1-19(2)15-21(17-36)31-28(37)26-25(20-7-4-3-5-8-20)33-27-22(9-6-10-35(26)27)32-23-16-24(30-18-29-23)34-11-13-38-14-12-34/h3-10,16,18-19,21,36H,11-15,17H2,1-2H3,(H,31,37)(H,29,30,32)/t21-/m0/s1.

What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide?

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[(6-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59588503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).