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

C66H82Cl4F3K2N11O14 — CID 158371871

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]-(3-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate
SMILESC.C.COC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.COC1CC(N)C1.COC1CC(NCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2CH4.2K.H/c1-35-16-9-15(10-16)30(12-20(32)28-11-14-5-4-7-18(25)22(14)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-20-11-5-10(6-11)17-8-13(19)18-7-9-3-2-4-12(15)14(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;1-7-5-2-4(6)3-5;2-1-4-3;;;;;/h2-8,15-16H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,10-11,17H,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
InChIKeySRGCVBMGMFCPHS-UHFFFAOYSA-M
MW1530.45 g/mol
LogP1.50
Rot. Bonds24

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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate (PubChem CID 158371871) has the molecular formula C66H82Cl4F3K2N11O14 and a molecular weight of 1530.45 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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate.

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]-(3-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate
PubChem CID158371871
Molecular FormulaC66H82Cl4F3K2N11O14
Molecular Weight1530.45 g/mol
Exact Mass1527.40
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]-(3-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate
SMILESC.C.COC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.COC1CC(N)C1.COC1CC(NCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2CH4.2K.H/c1-35-16-9-15(10-16)30(12-20(32)28-11-14-5-4-7-18(25)22(14)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-20-11-5-10(6-11)17-8-13(19)18-7-9-3-2-4-12(15)14(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;1-7-5-2-4(6)3-5;2-1-4-3;;;;;/h2-8,15-16H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,10-11,17H,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
InChIKeySRGCVBMGMFCPHS-UHFFFAOYSA-M
XLogP1.50
TPSA369.80 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.45
LogP ≤ 51.50
H-Bond Donors ≤ 57
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]-(3-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate with MolForge

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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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate (CID 158371871) 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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate is C.C.COC1CC(N(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc32)C1.COC1CC(N)C1.COC1CC(NCC(=O)NCc2cccc(Cl)c2F)C1.NC(=O)c1nn(CC(=O)O)c2ccccc12.O=C(CCl)CCc1cccc(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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate?
The InChIKey is SRGCVBMGMFCPHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClFN5O4.C14H18ClFN2O2.C10H9Cl2FO.C10H9N3O3.C5H11NO.CH2O3.2CH4.2K.H/c1-35-16-9-15(10-16)30(12-20(32)28-11-14-5-4-7-18(25)22(14)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34;1-20-11-5-10(6-11)17-8-13(19)18-7-9-3-2-4-12(15)14(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;1-7-5-2-4(6)3-5;2-1-4-3;;;;;/h2-8,15-16H,9-13H2,1H3,(H2,27,34)(H,28,32);2-4,10-11,17H,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.
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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;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-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate has a molecular weight of 1530.45 g/mol, XLogP of 1.50, 24 rotatable bonds, 7 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]-(3-methoxycyclobutyl)amino]-2-oxoethyl]indazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-[(3-methoxycyclobutyl)amino]acetamide;hydride;methane;3-methoxycyclobutan-1-amine;oxido formate is sourced from PubChem (CID 158371871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).