2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde

C90H90BrCl2F5N22O16 — CID 158416182

About 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde

2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 158416182) has the molecular formula C90H90BrCl2F5N22O16 and a molecular weight of 1981.65 g/mol. Its IUPAC name is 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158416182
• Molecular Formula: C90H90BrCl2F5N22O16
• Molecular Weight: 1981.65 g/mol
• Exact Mass: 1978.54
• IUPAC Name: 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde
• SMILES: Brc1cncnc1.C=C(C)N.CC(=O)Cn1nc(C(C)=O)c2cc(Oc3cncnc3)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)c1nn(CC(=O)O)c2ccc(Oc3cncnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3cncnc3)ccc21.O=CC(F)(F)F
• InChI: InChI=1S/C26H25ClFN7O4.C16H14N4O3.C15H12N4O4.C13H17ClFNO.C11H11N3O3.C4H3BrN2.C3H7N.C2HF3O/c1-15(2)34(12-22(36)32-9-16-4-3-5-20(27)24(16)28)23(37)13-35-21-7-6-17(39-18-10-30-14-31-11-18)8-19(21)25(33-35)26(29)38;1-10(21)8-20-15-4-3-12(23-13-6-17-9-18-7-13)5-14(15)16(19-20)11(2)22;1-9(20)15-12-4-10(23-11-5-16-8-17-6-11)2-3-13(12)19(18-15)7-14(21)22;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;5-4-1-6-3-7-2-4;1-3(2)4;3-2(4,5)1-6/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,29,38)(H,32,36);3-7,9H,8H2,1-2H3;2-6,8H,7H2,1H3,(H,21,22);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3H;1,4H2,2H3;1H
• InChIKey: GZXPJWZBDFODBM-UHFFFAOYSA-N
• XLogP: 13.81
• TPSA: 535.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.65
LogP ≤ 5	13.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde (CID 158416182) is 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde is Brc1cncnc1.C=C(C)N.CC(=O)Cn1nc(C(C)=O)c2cc(Oc3cncnc3)ccc21.CC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.CC(=O)c1nn(CC(=O)O)c2ccc(Oc3cncnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Oc3cncnc3)ccc21.O=CC(F)(F)F.

What is the InChIKey of 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is GZXPJWZBDFODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN7O4.C16H14N4O3.C15H12N4O4.C13H17ClFNO.C11H11N3O3.C4H3BrN2.C3H7N.C2HF3O/c1-15(2)34(12-22(36)32-9-16-4-3-5-20(27)24(16)28)23(37)13-35-21-7-6-17(39-18-10-30-14-31-11-18)8-19(21)25(33-35)26(29)38;1-10(21)8-20-15-4-3-12(23-13-6-17-9-18-7-13)5-14(15)16(19-20)11(2)22;1-9(20)15-12-4-10(23-11-5-16-8-17-6-11)2-3-13(12)19(18-15)7-14(21)22;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;5-4-1-6-3-7-2-4;1-3(2)4;3-2(4,5)1-6/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H2,29,38)(H,32,36);3-7,9H,8H2,1-2H3;2-6,8H,7H2,1H3,(H,21,22);3-5,9H,6-8H2,1-2H3,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3H;1,4H2,2H3;1H.

What are the key properties of 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde?

2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1981.65 g/mol, XLogP of 13.81, 28 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)acetic acid;1-(3-acetyl-5-pyrimidin-5-yloxyindazol-1-yl)propan-2-one;5-bromopyrimidine;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-pyrimidin-5-yloxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;prop-1-en-2-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158416182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).