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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate

C64H74Cl4F3K2N11O11 — CID 157366557

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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate (PubChem CID 157366557) has the molecular formula C64H74Cl4F3K2N11O11 and a molecular weight of 1450.36 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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate
• PubChem CID: 157366557
• Molecular Formula: C64H74Cl4F3K2N11O11
• Molecular Weight: 1450.36 g/mol
• Exact Mass: 1447.35
• 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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate
• SMILES: NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCC1CCC1.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNCC1CCC1)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9Cl2FO.C10H9N3O3.C5H11N.CH2O3.2K.H/c25-18-9-4-7-16(22(18)26)11-28-20(32)13-30(12-15-5-3-6-15)21(33)14-31-19-10-2-1-8-17(19)23(29-31)24(27)34;15-12-6-2-5-11(14(12)16)8-18-13(19)9-17-7-10-3-1-4-10;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;6-4-5-2-1-3-5;2-1-4-3;;;/h1-2,4,7-10,15H,3,5-6,11-14H2,(H2,27,34)(H,28,32);2,5-6,10,17H,1,3-4,7-9H2,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);5H,1-4,6H2;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: NYYZCTGAZHHNKX-UHFFFAOYSA-M
• XLogP: 2.10
• TPSA: 342.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.36
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate (CID 157366557) 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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate is NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)CC2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCC1CCC1.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNCC1CCC1)NCc1cccc(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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate?

The InChIKey is NYYZCTGAZHHNKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9Cl2FO.C10H9N3O3.C5H11N.CH2O3.2K.H/c25-18-9-4-7-16(22(18)26)11-28-20(32)13-30(12-15-5-3-6-15)21(33)14-31-19-10-2-1-8-17(19)23(29-31)24(27)34;15-12-6-2-5-11(14(12)16)8-18-13(19)9-17-7-10-3-1-4-10;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;6-4-5-2-1-3-5;2-1-4-3;;;/h1-2,4,7-10,15H,3,5-6,11-14H2,(H2,27,34)(H,28,32);2,5-6,10,17H,1,3-4,7-9H2,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);5H,1-4,6H2;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate has a molecular weight of 1450.36 g/mol, XLogP of 2.10, 24 rotatable bonds, 7 hydrogen bond donors, and 16 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]-(cyclobutylmethyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide;cyclobutylmethanamine;hydride;oxido formate is sourced from PubChem (CID 157366557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).