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

C125H148BrCl2F2N20O13P — CID 158860935

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

2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine (PubChem CID 158860935) has the molecular formula C125H148BrCl2F2N20O13P and a molecular weight of 2358.47 g/mol. Its IUPAC name is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine
• PubChem CID: 158860935
• Molecular Formula: C125H148BrCl2F2N20O13P
• Molecular Weight: 2358.47 g/mol
• Exact Mass: 2354.98
• IUPAC Name: 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine
• SMILES: 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)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cccnc3)ccc21.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.Nc1cccnc1
• InChI: InChI=1S/C29H45P.C27H27ClFN7O3.C20H22N4O3.C16H14N4O3.C15H17BrN2O3.C13H17ClFNO.C5H6N2/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;1-16(2)35(14-23(37)32-12-17-5-3-7-21(28)25(17)29)24(38)15-36-22-9-8-18(33-19-6-4-10-31-13-19)11-20(22)26(34-36)27(30)39;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/h13-21H,1-12H3;3-11,13,16,33H,12,14-15H2,1-2H3,(H2,30,39)(H,32,37);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
• InChIKey: JAQIYTJOGISWRV-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 447.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.47
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'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;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine?

The IUPAC name of 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine (CID 158860935) is 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine.

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

The canonical SMILES for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine is 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)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Nc3cccnc3)ccc21.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.Nc1cccnc1.

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

The InChIKey is JAQIYTJOGISWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45P.C27H27ClFN7O3.C20H22N4O3.C16H14N4O3.C15H17BrN2O3.C13H17ClFNO.C5H6N2/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;1-16(2)35(14-23(37)32-12-17-5-3-7-21(28)25(17)29)24(38)15-36-22-9-8-18(33-19-6-4-10-31-13-19)11-20(22)26(34-36)27(30)39;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/h13-21H,1-12H3;3-11,13,16,33H,12,14-15H2,1-2H3,(H2,30,39)(H,32,37);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.

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

2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine has a molecular weight of 2358.47 g/mol, XLogP of 26.77, 33 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(pyridin-3-ylamino)indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;pyridin-3-amine is sourced from PubChem (CID 158860935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).