N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide

C24H28ClN7O4 — CID 125022299

About N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide

N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide (PubChem CID 125022299) has the molecular formula C24H28ClN7O4 and a molecular weight of 513.99 g/mol. Its IUPAC name is N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide
• PubChem CID: 125022299
• Molecular Formula: C24H28ClN7O4
• Molecular Weight: 513.99 g/mol
• Exact Mass: 513.19
• IUPAC Name: N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide
• SMILES: CNCC(=O)Nc1cc(Cl)ccc1OCCc1cc([C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n[nH]1
• InChI: InChI=1S/C24H28ClN7O4/c1-27-13-23(33)29-18-10-16(25)3-4-20(18)35-8-6-17-11-19(31-30-17)21-14-32(7-9-36-21)24(34)15-2-5-22(26)28-12-15/h2-5,10-12,21,27H,6-9,13-14H2,1H3,(H2,26,28)(H,29,33)(H,30,31)/t21-/m0/s1
• InChIKey: YPRCJQHBXOUQJC-NRFANRHFSA-N
• XLogP: 2.03
• TPSA: 147.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.99
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide?

The IUPAC name of N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide (CID 125022299) is N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide.

What is the SMILES notation for N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide?

The canonical SMILES for N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(Cl)ccc1OCCc1cc([C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)n[nH]1.

What is the InChIKey of N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide?

The InChIKey is YPRCJQHBXOUQJC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28ClN7O4/c1-27-13-23(33)29-18-10-16(25)3-4-20(18)35-8-6-17-11-19(31-30-17)21-14-32(7-9-36-21)24(34)15-2-5-22(26)28-12-15/h2-5,10-12,21,27H,6-9,13-14H2,1H3,(H2,26,28)(H,29,33)(H,30,31)/t21-/m0/s1.

What are the key properties of N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide?

N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide has a molecular weight of 513.99 g/mol, XLogP of 2.03, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-[(2S)-4-(6-aminopyridine-3-carbonyl)morpholin-2-yl]-1H-pyrazol-5-yl]ethoxy]-5-chlorophenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 125022299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).