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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol

C64H74Cl4F3K2N11O14 — CID 159192376

IUPACdipotassium;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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@@H]1CCC[C@H]1O.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CN[C@@H]1CCC[C@H]1O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2K.H/c25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;15-10-4-1-3-9(14(10)16)7-18-13(20)8-17-11-5-2-6-12(11)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;6-4-2-1-3-5(4)7;2-1-4-3;;;/h1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);1,3-4,11-12,17,19H,2,5-8H2,(H,18,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5,7H,1-3,6H2;1,3H;;;/q;;;;;;2*+1;-1/p-1/t18-,19-;11-,12-;;;4-,5-;;;;/m11..1..../s1
InChIKeyWEZORMDBPVASKL-OFWRNHKESA-M
MW1498.36 g/mol
LogP-0.56
Rot. Bonds21

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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol

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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol (PubChem CID 159192376) has the molecular formula C64H74Cl4F3K2N11O14 and a molecular weight of 1498.36 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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol.

Molecular Properties

Compound Namedipotassium;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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol
PubChem CID159192376
Molecular FormulaC64H74Cl4F3K2N11O14
Molecular Weight1498.36 g/mol
Exact Mass1495.34
IUPAC Namedipotassium;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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@@H]1CCC[C@H]1O.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CN[C@@H]1CCC[C@H]1O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2K.H/c25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;15-10-4-1-3-9(14(10)16)7-18-13(20)8-17-11-5-2-6-12(11)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;6-4-2-1-3-5(4)7;2-1-4-3;;;/h1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);1,3-4,11-12,17,19H,2,5-8H2,(H,18,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5,7H,1-3,6H2;1,3H;;;/q;;;;;;2*+1;-1/p-1/t18-,19-;11-,12-;;;4-,5-;;;;/m11..1..../s1
InChIKeyWEZORMDBPVASKL-OFWRNHKESA-M
XLogP-0.56
TPSA402.80 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

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;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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol with MolForge

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Related Compounds

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S,2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300220
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide
CID 130300264
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130324817
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(2S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130324886
N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide
CID 130325011
(4S)-4-amino-1-(3-chloro-2-fluorophenyl)heptan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;(4S)-1-(3-chloro-2-fluorophenyl)-4-methylheptan-3-one;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;methane;(2S)-2-methylpentanoic acid;2,2,2-trifluoroacetaldehyde
CID 158478875
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;oxido formate
CID 159155459
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
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-[(1S)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 166957639
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
1-Amino-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]-(3-methylbutyl)amino]-2-oxoethyl]indazole-3-carboxamide;4-(3-chloro-2-fluorophenyl)-1-(3-methylbutylamino)butan-2-one;3-methylbutanal
CID 157150163
CID 157166216
CID 157166216

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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol?
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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol (CID 159192376) 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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol.
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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol?
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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol is NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2CCC[C@H]2O)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.N[C@@H]1CCC[C@H]1O.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CN[C@@H]1CCC[C@H]1O)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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol?
The InChIKey is WEZORMDBPVASKL-OFWRNHKESA-M. The full InChI is InChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2K.H/c25-16-7-3-5-14(22(16)26)11-28-20(33)12-30(18-9-4-10-19(18)32)21(34)13-31-17-8-2-1-6-15(17)23(29-31)24(27)35;15-10-4-1-3-9(14(10)16)7-18-13(20)8-17-11-5-2-6-12(11)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;6-4-2-1-3-5(4)7;2-1-4-3;;;/h1-3,5-8,18-19,32H,4,9-13H2,(H2,27,35)(H,28,33);1,3-4,11-12,17,19H,2,5-8H2,(H,18,20);1-3H,4-6H2;1-4H,5H2,(H2,11,16)(H,14,15);4-5,7H,1-3,6H2;1,3H;;;/q;;;;;;2*+1;-1/p-1/t18-,19-;11-,12-;;;4-,5-;;;;/m11..1..../s1.
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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol?
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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol has a molecular weight of 1498.36 g/mol, XLogP of -0.56, 21 rotatable bonds, 10 hydrogen bond donors, and 19 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]-[(1R,2R)-2-hydroxycyclopentyl]amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[[(1R,2R)-2-hydroxycyclopentyl]amino]acetamide;hydride;oxido formate;trans-(1R,2R)-2-aminocyclopentan-1-ol is sourced from PubChem (CID 159192376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).