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

C66H82Cl4F3K2N11O14 — CID 158812944

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

dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate (PubChem CID 158812944) has the molecular formula C66H82Cl4F3K2N11O14 and a molecular weight of 1530.45 g/mol. Its IUPAC name is dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate
• PubChem CID: 158812944
• Molecular Formula: C66H82Cl4F3K2N11O14
• Molecular Weight: 1530.45 g/mol
• Exact Mass: 1527.40
• IUPAC Name: dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate
• SMILES: C.C.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CCCC1O.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNC1CCCC1O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2CH4.2K.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;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: RKDBAZVOKYYARQ-UHFFFAOYSA-M
• XLogP: 0.71
• TPSA: 402.80 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1530.45
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

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

The IUPAC name of dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate (CID 158812944) is dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate.

What is the SMILES notation for dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate?

The canonical SMILES for dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate is C.C.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.NC(=O)c1nn(CC(=O)O)c2ccccc12.NC1CCCC1O.O=C(CCl)CCc1cccc(Cl)c1F.O=C(CNC1CCCC1O)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate?

The InChIKey is RKDBAZVOKYYARQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2CH4.2K.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;2*1H4;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate?

dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate has a molecular weight of 1530.45 g/mol, XLogP of 0.71, 21 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-aminocyclopentan-1-ol;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]-(2-hydroxycyclopentyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)amino]acetamide;hydride;methane;oxido formate is sourced from PubChem (CID 158812944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).