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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate

C66H82BrCl3F3K2N11O11 — CID 159918344

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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate
SMILESC.C.C[C@@H](N)C1CC1.C[C@@H](NCC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.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.CH2O3.2CH4.2K.H/c1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)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;1-4(6)5-2-3-5;2-1-4-3;;;;;/h2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,9-10,17H,5-8H2,1H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5H,2-3,6H2,1H3;1,3H;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1/t14-;9-;;;4-;;;;;;/m11..1....../s1
InChIKeyZDTZHXYZBQDXHI-LBBBNGPPSA-M
MW1526.90 g/mol
LogP3.52
Rot. Bonds24

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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate (PubChem CID 159918344) has the molecular formula C66H82BrCl3F3K2N11O11 and a molecular weight of 1526.90 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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate
PubChem CID159918344
Molecular FormulaC66H82BrCl3F3K2N11O11
Molecular Weight1526.90 g/mol
Exact Mass1523.37
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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate
SMILESC.C.C[C@@H](N)C1CC1.C[C@@H](NCC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.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.CH2O3.2CH4.2K.H/c1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)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;1-4(6)5-2-3-5;2-1-4-3;;;;;/h2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,9-10,17H,5-8H2,1H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5H,2-3,6H2,1H3;1,3H;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1/t14-;9-;;;4-;;;;;;/m11..1....../s1
InChIKeyZDTZHXYZBQDXHI-LBBBNGPPSA-M
XLogP3.52
TPSA342.11 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.90
LogP ≤ 53.52
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'}

Analyze 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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate with MolForge

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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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate (CID 159918344) 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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate is C.C.C[C@@H](N)C1CC1.C[C@@H](NCC(=O)NCc1cccc(Cl)c1F)C1CC1.C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate?
The InChIKey is ZDTZHXYZBQDXHI-LBBBNGPPSA-M. The full InChI is InChI=1S/C24H25ClFN5O3.C14H18ClFN2O.C10H9BrClFO.C10H9N3O3.C5H11N.CH2O3.2CH4.2K.H/c1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-9(10-5-6-10)17-8-13(19)18-7-11-3-2-4-12(15)14(11)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;1-4(6)5-2-3-5;2-1-4-3;;;;;/h2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,9-10,17H,5-8H2,1H3,(H,18,19);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5H,2-3,6H2,1H3;1,3H;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1/t14-;9-;;;4-;;;;;;/m11..1....../s1.
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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate has a molecular weight of 1526.90 g/mol, XLogP of 3.52, 24 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]-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R)-1-cyclopropylethyl]amino]acetamide;(1R)-1-cyclopropylethanamine;hydride;methane;oxido formate is sourced from PubChem (CID 159918344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).