2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine

C97H104BrCl2F2N19O13 — CID 158420564

About 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine

2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine (PubChem CID 158420564) has the molecular formula C97H104BrCl2F2N19O13 and a molecular weight of 1932.82 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine
• PubChem CID: 158420564
• Molecular Formula: C97H104BrCl2F2N19O13
• Molecular Weight: 1932.82 g/mol
• Exact Mass: 1929.66
• IUPAC Name: 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine
• SMILES: CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cccnn3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cccnn3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Nc1cccnn1
• InChI: InChI=1S/C28H28ClFN6O3.C20H22N4O3.C16H18BrNO3.C16H14N4O3.C13H17ClFNO.C4H5N3/c1-17(2)36(15-26(38)31-13-19-6-4-7-23(29)28(19)30)27(39)16-35-14-22(18(3)37)21-12-20(9-10-24(21)35)33-25-8-5-11-32-34-25;1-13(25)16-11-24(12-19(26)27-20(2,3)4)17-8-7-14(10-15(16)17)22-18-6-5-9-21-23-18;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(21)13-8-20(9-16(22)23)14-5-4-11(7-12(13)14)18-15-3-2-6-17-19-15;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;5-4-2-1-3-6-7-4/h4-12,14,17H,13,15-16H2,1-3H3,(H,31,38)(H,33,34);5-11H,12H2,1-4H3,(H,22,23);5-8H,9H2,1-4H3;2-8H,9H2,1H3,(H,18,19)(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);1-3H,(H2,5,7)
• InChIKey: HALBQELNBNSAPM-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 421.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.82
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine?

The IUPAC name of 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine (CID 158420564) is 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine.

What is the SMILES notation for 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine?

The canonical SMILES for 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnn3)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cccnn3)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Nc3cccnn3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.Nc1cccnn1.

What is the InChIKey of 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine?

The InChIKey is HALBQELNBNSAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN6O3.C20H22N4O3.C16H18BrNO3.C16H14N4O3.C13H17ClFNO.C4H5N3/c1-17(2)36(15-26(38)31-13-19-6-4-7-23(29)28(19)30)27(39)16-35-14-22(18(3)37)21-12-20(9-10-24(21)35)33-25-8-5-11-32-34-25;1-13(25)16-11-24(12-19(26)27-20(2,3)4)17-8-7-14(10-15(16)17)22-18-6-5-9-21-23-18;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-10(21)13-8-20(9-16(22)23)14-5-4-11(7-12(13)14)18-15-3-2-6-17-19-15;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;5-4-2-1-3-6-7-4/h4-12,14,17H,13,15-16H2,1-3H3,(H,31,38)(H,33,34);5-11H,12H2,1-4H3,(H,22,23);5-8H,9H2,1-4H3;2-8H,9H2,1H3,(H,18,19)(H,22,23);3-5,9H,6-8H2,1-2H3,(H,16,17);1-3H,(H2,5,7).

What are the key properties of 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine?

2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine has a molecular weight of 1932.82 g/mol, XLogP of 18.44, 28 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;pyridazin-3-amine is sourced from PubChem (CID 158420564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).