2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde

C130H158BrCl2F5N19O14P — CID 160573295

About 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde

2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 160573295) has the molecular formula C130H158BrCl2F5N19O14P and a molecular weight of 2487.59 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160573295
• Molecular Formula: C130H158BrCl2F5N19O14P
• Molecular Weight: 2487.59 g/mol
• Exact Mass: 2484.05
• IUPAC Name: 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Nc3cccnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.Nc1cccnc1.O=CC(F)(F)F
• InChI: InChI=1S/C29H45P.C28H28ClFN6O3.C20H22N4O3.C16H14N4O3.C15H17BrN2O3.C13H17ClFNO.C5H6N2.C2HF3O.2CH4/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-17(2)35(15-25(38)32-13-19-6-4-8-23(29)27(19)30)26(39)16-36-24-10-9-20(33-21-7-5-11-31-14-21)12-22(24)28(34-36)18(3)37;1-13(25)19-16-10-14(22-15-6-5-9-21-11-15)7-8-17(16)24(23-19)12-18(26)27-20(2,3)4;1-10(21)16-13-7-11(18-12-3-2-6-17-8-12)4-5-14(13)20(19-16)9-15(22)23;1-9(19)14-11-7-10(16)5-6-12(11)18(17-14)8-13(20)21-15(2,3)4;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;6-5-2-1-3-7-4-5;3-2(4,5)1-6;;/h13-21H,1-12H3;4-12,14,17,33H,13,15-16H2,1-3H3,(H,32,38);5-11,22H,12H2,1-4H3;2-8,18H,9H2,1H3,(H,22,23);5-7H,8H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);1-4H,6H2;1H;2*1H4
• InChIKey: RAUWRFOSMIZGBD-UHFFFAOYSA-N
• XLogP: 29.89
• TPSA: 438.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 33
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2487.59
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde (CID 160573295) is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde is C.C.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Nc3cccnc3)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Nc3cccnc3)cc12.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.Nc1cccnc1.O=CC(F)(F)F.

What is the InChIKey of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is RAUWRFOSMIZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45P.C28H28ClFN6O3.C20H22N4O3.C16H14N4O3.C15H17BrN2O3.C13H17ClFNO.C5H6N2.C2HF3O.2CH4/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-17(2)35(15-25(38)32-13-19-6-4-8-23(29)27(19)30)26(39)16-36-24-10-9-20(33-21-7-5-11-31-14-21)12-22(24)28(34-36)18(3)37;1-13(25)19-16-10-14(22-15-6-5-9-21-11-15)7-8-17(16)24(23-19)12-18(26)27-20(2,3)4;1-10(21)16-13-7-11(18-12-3-2-6-17-8-12)4-5-14(13)20(19-16)9-15(22)23;1-9(19)14-11-7-10(16)5-6-12(11)18(17-14)8-13(20)21-15(2,3)4;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;6-5-2-1-3-7-4-5;3-2(4,5)1-6;;/h13-21H,1-12H3;4-12,14,17,33H,13,15-16H2,1-3H3,(H,32,38);5-11,22H,12H2,1-4H3;2-8,18H,9H2,1H3,(H,22,23);5-7H,8H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);1-4H,6H2;1H;2*1H4.

What are the key properties of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde?

2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 2487.59 g/mol, XLogP of 29.89, 33 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160573295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).