dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate

C56H55Cl3K2N12O8 — CID 163697748

IUPACdipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate
SMILESCCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.CCc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H21ClN6O.C16H14ClN3O2.C11H10ClN.C6H8N2O2.CH2O3.2K.H/c1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-22-16(21)13-7-19-20(10-13)9-11-3-4-15-12(5-11)6-14(17)8-18-15;1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-2-10-6(9)5-3-7-8-4-5;2-1-4-3;;;/h3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8,10H,2,9H2,1H3;3-7H,2H2,1H3;3-4H,2H2,1H3,(H,7,8);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeySVZXNLALXGMUOV-UHFFFAOYSA-M
MW1208.69 g/mol
LogP3.56
Rot. Bonds13

About dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate

dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate (PubChem CID 163697748) has the molecular formula C56H55Cl3K2N12O8 and a molecular weight of 1208.69 g/mol. Its IUPAC name is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate
PubChem CID163697748
Molecular FormulaC56H55Cl3K2N12O8
Molecular Weight1208.69 g/mol
Exact Mass1206.26
IUPAC Namedipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate
SMILESCCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.CCc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H21ClN6O.C16H14ClN3O2.C11H10ClN.C6H8N2O2.CH2O3.2K.H/c1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-22-16(21)13-7-19-20(10-13)9-11-3-4-15-12(5-11)6-14(17)8-18-15;1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-2-10-6(9)5-3-7-8-4-5;2-1-4-3;;;/h3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8,10H,2,9H2,1H3;3-7H,2H2,1H3;3-4H,2H2,1H3,(H,7,8);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeySVZXNLALXGMUOV-UHFFFAOYSA-M
XLogP3.56
TPSA272.96 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.69
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate with MolForge

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Related Compounds

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide;ethyl 1H-pyrazole-4-carboxylate;1-[(4-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 158294833
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide
CID 134178616
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-3-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 134178435
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxamide
CID 140929567
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-bromo-1-[(3-chloroquinolin-6-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 134178441
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide;ethane
CID 145441055
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyano-1,2,4-triazole-3-carboxamide
CID 140929552
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 159466945
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,5-dihydropyrazole-5-carboxamide
CID 134178171

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate?
The IUPAC name of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate (CID 163697748) is dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate.
What is the SMILES notation for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate?
The canonical SMILES for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate is CCOC(=O)c1cn[nH]c1.CCOC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.CCc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3ncc(Cl)cc3c2)c1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate?
The InChIKey is SVZXNLALXGMUOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21ClN6O.C16H14ClN3O2.C11H10ClN.C6H8N2O2.CH2O3.2K.H/c1-13-5-21(24)28-14(2)19(13)10-26-22(30)17-8-27-29(12-17)11-15-3-4-20-16(6-15)7-18(23)9-25-20;1-2-22-16(21)13-7-19-20(10-13)9-11-3-4-15-12(5-11)6-14(17)8-18-15;1-2-8-3-4-11-9(5-8)6-10(12)7-13-11;1-2-10-6(9)5-3-7-8-4-5;2-1-4-3;;;/h3-9,12H,10-11H2,1-2H3,(H2,24,28)(H,26,30);3-8,10H,2,9H2,1H3;3-7H,2H2,1H3;3-4H,2H2,1H3,(H,7,8);1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate?
dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate has a molecular weight of 1208.69 g/mol, XLogP of 3.56, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxamide;3-chloro-6-ethylquinoline;ethyl 1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydride;oxido formate is sourced from PubChem (CID 163697748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).