dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate

C71H90Cl4F3K2N13O11 — CID 157131263

About dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate

dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate (PubChem CID 157131263) has the molecular formula C71H90Cl4F3K2N13O11 and a molecular weight of 1578.58 g/mol. Its IUPAC name is dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate
• PubChem CID: 157131263
• Molecular Formula: C71H90Cl4F3K2N13O11
• Molecular Weight: 1578.58 g/mol
• Exact Mass: 1575.49
• IUPAC Name: dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate
• SMILES: CN1CCC(CCCC(=O)NCc2cccc(Cl)c2F)CC1.CN1CCC(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)CC1.CN1CCC(CN)CC1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C26H30ClFN6O3.C17H24ClFN2O.C10H9Cl2FO.C10H9N3O3.C7H16N2.CH2O3.2K.H/c1-32-11-9-17(10-12-32)14-33(15-22(35)30-13-18-5-4-7-20(27)24(18)28)23(36)16-34-21-8-3-2-6-19(21)25(31-34)26(29)37;1-21-10-8-13(9-11-21)4-2-7-16(22)20-12-14-5-3-6-15(18)17(14)19;11-6-8(14)5-4-7-2-1-3-9(12)10(7)13;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-9-4-2-7(6-8)3-5-9;2-1-4-3;;;/h2-8,17H,9-16H2,1H3,(H2,29,37)(H,30,35);3,5-6,13H,2,4,7-12H2,1H3,(H,20,22);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);7H,2-6,8H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: HASHBBKKUUXWFP-UHFFFAOYSA-M
• XLogP: 2.30
• TPSA: 339.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.58
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate?

The IUPAC name of dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate (CID 157131263) is dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate.

What is the SMILES notation for dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate?

The canonical SMILES for dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate is CN1CCC(CCCC(=O)NCc2cccc(Cl)c2F)CC1.CN1CCC(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)CC1.CN1CCC(CN)CC1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate?

The InChIKey is HASHBBKKUUXWFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H30ClFN6O3.C17H24ClFN2O.C10H9Cl2FO.C10H9N3O3.C7H16N2.CH2O3.2K.H/c1-32-11-9-17(10-12-32)14-33(15-22(35)30-13-18-5-4-7-20(27)24(18)28)23(36)16-34-21-8-3-2-6-19(21)25(31-34)26(29)37;1-21-10-8-13(9-11-21)4-2-7-16(22)20-12-14-5-3-6-15(18)17(14)19;11-6-8(14)5-4-7-2-1-3-9(12)10(7)13;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-9-4-2-7(6-8)3-5-9;2-1-4-3;;;/h2-8,17H,9-16H2,1H3,(H2,29,37)(H,30,35);3,5-6,13H,2,4,7-12H2,1H3,(H,20,22);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);7H,2-6,8H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate?

dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate has a molecular weight of 1578.58 g/mol, XLogP of 2.30, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-carbamoylindazol-1-yl)acetic acid;1-chloro-4-(3-chloro-2-fluorophenyl)butan-2-one;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1-methylpiperidin-4-yl)methyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)butanamide;hydride;(1-methylpiperidin-4-yl)methanamine;oxido formate is sourced from PubChem (CID 157131263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).