dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate

C64H74BrCl3F3K2N11O11 — CID 159410110

IUPACdipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate
SMILESCC1(C)CC1N.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC1(C)CC1NCC(=O)NCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C5H11N.CH2O3.2K.H/c1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;1-14(2)6-11(14)17-8-12(19)18-7-9-4-3-5-10(15)13(9)16;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;1-5(2)3-4(5)6;2-1-4-3;;;/h3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);3-5,11,17H,6-8H2,1-2H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4H,3,6H2,1-2H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyOIXLYFBRGVQBAM-UHFFFAOYSA-M
MW1494.81 g/mol
LogP2.25
Rot. Bonds21

About dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate

dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate (PubChem CID 159410110) has the molecular formula C64H74BrCl3F3K2N11O11 and a molecular weight of 1494.81 g/mol. Its IUPAC name is dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate
PubChem CID159410110
Molecular FormulaC64H74BrCl3F3K2N11O11
Molecular Weight1494.81 g/mol
Exact Mass1491.30
IUPAC Namedipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate
SMILESCC1(C)CC1N.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC1(C)CC1NCC(=O)NCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C5H11N.CH2O3.2K.H/c1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;1-14(2)6-11(14)17-8-12(19)18-7-9-4-3-5-10(15)13(9)16;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;1-5(2)3-4(5)6;2-1-4-3;;;/h3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);3-5,11,17H,6-8H2,1-2H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4H,3,6H2,1-2H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyOIXLYFBRGVQBAM-UHFFFAOYSA-M
XLogP2.25
TPSA342.11 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.81
LogP ≤ 52.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

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'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate?
The IUPAC name of dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate (CID 159410110) is dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate.
What is the SMILES notation for dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate?
The canonical SMILES for dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate is CC1(C)CC1N.CC1(C)CC1N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC1(C)CC1NCC(=O)NCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CBr)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate?
The InChIKey is OIXLYFBRGVQBAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C5H11N.CH2O3.2K.H/c1-24(2)10-18(24)30(12-19(32)28-11-14-6-5-8-16(25)21(14)26)20(33)13-31-17-9-4-3-7-15(17)22(29-31)23(27)34;1-14(2)6-11(14)17-8-12(19)18-7-9-4-3-5-10(15)13(9)16;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;1-5(2)3-4(5)6;2-1-4-3;;;/h3-9,18H,10-13H2,1-2H3,(H2,27,34)(H,28,32);3-5,11,17H,6-8H2,1-2H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4H,3,6H2,1-2H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate?
dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate has a molecular weight of 1494.81 g/mol, XLogP of 2.25, 21 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2,2-dimethylcyclopropyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2,2-dimethylcyclopropyl)amino]acetamide;2,2-dimethylcyclopropan-1-amine;hydride;oxido formate is sourced from PubChem (CID 159410110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).