1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide

C26H30ClFN6O5 — CID 130299497

About 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299497) has the molecular formula C26H30ClFN6O5 and a molecular weight of 561.01 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 130299497
• Molecular Formula: C26H30ClFN6O5
• Molecular Weight: 561.01 g/mol
• Exact Mass: 560.20
• IUPAC Name: 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CC(CO)N(CC(=O)NCc1cc(N2CCOCC2)cc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
• InChI: InChI=1S/C26H30ClFN6O5/c1-16(15-35)33(23(37)14-34-21-5-3-2-4-19(21)25(31-34)26(29)38)13-22(36)30-12-17-10-18(11-20(27)24(17)28)32-6-8-39-9-7-32/h2-5,10-11,16,35H,6-9,12-15H2,1H3,(H2,29,38)(H,30,36)
• InChIKey: GBRBSJJZKKRDAO-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 143.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.01
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 130299497) is 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide is CC(CO)N(CC(=O)NCc1cc(N2CCOCC2)cc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.

What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is GBRBSJJZKKRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN6O5/c1-16(15-35)33(23(37)14-34-21-5-3-2-4-19(21)25(31-34)26(29)38)13-22(36)30-12-17-10-18(11-20(27)24(17)28)32-6-8-39-9-7-32/h2-5,10-11,16,35H,6-9,12-15H2,1H3,(H2,29,38)(H,30,36).

What are the key properties of 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide?

1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 561.01 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[(3-chloro-2-fluoro-5-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]-(1-hydroxypropan-2-yl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).