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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate

C63H70Cl4F9K2N11O11 — CID 161372386

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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate (PubChem CID 161372386) has the molecular formula C63H70Cl4F9K2N11O11 and a molecular weight of 1548.31 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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate
• PubChem CID: 161372386
• Molecular Formula: C63H70Cl4F9K2N11O11
• Molecular Weight: 1548.31 g/mol
• Exact Mass: 1545.31
• 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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate
• SMILES: C.C.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CC(F)(F)C1.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNC1CC(F)(F)C1)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H21ClF3N5O3.C13H14ClF3N2O.C10H9Cl2FO.C10H9N3O3.C4H7F2N.CH2O3.2CH4.2K.H/c24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;14-10-3-1-2-8(12(10)15)6-19-11(20)7-18-9-4-13(16,17)5-9;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;5-4(6)1-3(7)2-4;2-1-4-3;;;;;/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,9,18H,4-7H2,(H,19,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);3H,1-2,7H2;1,3H;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: NQWNYFRZPSVGJT-UHFFFAOYSA-M
• XLogP: 3.36
• TPSA: 342.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.31
LogP ≤ 5	3.36
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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate (CID 161372386) 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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate is C.C.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC(F)(F)C2)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CC(F)(F)C1.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNC1CC(F)(F)C1)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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate?

The InChIKey is NQWNYFRZPSVGJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H21ClF3N5O3.C13H14ClF3N2O.C10H9Cl2FO.C10H9N3O3.C4H7F2N.CH2O3.2CH4.2K.H/c24-16-6-3-4-13(20(16)25)10-29-18(33)11-31(14-8-23(26,27)9-14)19(34)12-32-17-7-2-1-5-15(17)21(30-32)22(28)35;14-10-3-1-2-8(12(10)15)6-19-11(20)7-18-9-4-13(16,17)5-9;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;5-4(6)1-3(7)2-4;2-1-4-3;;;;;/h1-7,14H,8-12H2,(H2,28,35)(H,29,33);1-3,9,18H,4-7H2,(H,19,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);3H,1-2,7H2;1,3H;2*1H4;;;/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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate has a molecular weight of 1548.31 g/mol, XLogP of 3.36, 21 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]-(3,3-difluorocyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3,3-difluorocyclobutyl)amino]acetamide;3,3-difluorocyclobutan-1-amine;hydride;methane;oxido formate is sourced from PubChem (CID 161372386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).