2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C52H55ClN14O5 — CID 158064902

About 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 158064902) has the molecular formula C52H55ClN14O5 and a molecular weight of 991.56 g/mol. Its IUPAC name is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• PubChem CID: 158064902
• Molecular Formula: C52H55ClN14O5
• Molecular Weight: 991.56 g/mol
• Exact Mass: 990.42
• IUPAC Name: 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1N1CCOCC1.CC(C)NC(=O)COc1ccc(-c2nnc(Cc3ccc4[nH]ncc4c3)n2-c2ccccn2)cc1
• InChI: InChI=1S/C26H30ClN7O3.C26H25N7O2/c1-16(2)29-24(35)15-37-22-7-5-18(12-21(22)34-8-10-36-11-9-34)26-30-23(33(3)32-26)13-17-4-6-20-19(25(17)27)14-28-31-20;1-17(2)29-25(34)16-35-21-9-7-19(8-10-21)26-32-31-24(33(26)23-5-3-4-12-27-23)14-18-6-11-22-20(13-18)15-28-30-22/h4-7,12,14,16H,8-11,13,15H2,1-3H3,(H,28,31)(H,29,35);3-13,15,17H,14,16H2,1-2H3,(H,28,30)(H,29,34)
• InChIKey: FLCIHQMGGHMAGC-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 220.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.56
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The IUPAC name of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 158064902) is 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1N1CCOCC1.CC(C)NC(=O)COc1ccc(-c2nnc(Cc3ccc4[nH]ncc4c3)n2-c2ccccn2)cc1.

What is the InChIKey of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

The InChIKey is FLCIHQMGGHMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O3.C26H25N7O2/c1-16(2)29-24(35)15-37-22-7-5-18(12-21(22)34-8-10-36-11-9-34)26-30-23(33(3)32-26)13-17-4-6-20-19(25(17)27)14-28-31-20;1-17(2)29-25(34)16-35-21-9-7-19(8-10-21)26-32-31-24(33(26)23-5-3-4-12-27-23)14-18-6-11-22-20(13-18)15-28-30-22/h4-7,12,14,16H,8-11,13,15H2,1-3H3,(H,28,31)(H,29,35);3-13,15,17H,14,16H2,1-2H3,(H,28,30)(H,29,34).

What are the key properties of 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?

2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 991.56 g/mol, XLogP of 7.04, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 158064902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).