dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride

C114H124Cl5K2N15O13 — CID 160788257

IUPACdipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(OCc2ccncc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3)c3ccccc23)cc1.Cl.Cl.Cl.Cl.ClCc1ccncc1.Nc1ccc(O)c2ccccc12.Nc1ccc(OCc2ccncc2)c2ccccc12.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C31H31N5O2.C21H22N2O3.C16H14N2O.C15H17NO3.C14H19N3.C10H9NO.C6H6ClN.CH2O3.4ClH.2K.H/c1-21-9-11-23(12-10-21)36-29(19-28(35-36)31(2,3)4)34-30(37)33-26-13-14-27(25-8-6-5-7-24(25)26)38-20-22-15-17-32-18-16-22;1-21(2,3)26-20(24)23-18-8-9-19(17-7-5-4-6-16(17)18)25-14-15-10-12-22-13-11-15;17-15-5-6-16(14-4-2-1-3-13(14)15)19-11-12-7-9-18-10-8-12;1-15(2,3)19-14(18)16-12-8-9-13(17)11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-6-1-3-8-4-2-6;2-1-4-3;;;;;;;/h5-19H,20H2,1-4H3,(H2,33,34,37);4-13H,14H2,1-3H3,(H,23,24);1-10H,11,17H2;4-9,17H,1-3H3,(H,16,18);5-9H,15H2,1-4H3;1-6,12H,11H2;1-4H,5H2;1,3H;4*1H;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyOVEBMCQEBUMMCT-UHFFFAOYSA-M
MW2167.80 g/mol
LogP20.95
Rot. Bonds17

About dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride

dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride (PubChem CID 160788257) has the molecular formula C114H124Cl5K2N15O13 and a molecular weight of 2167.80 g/mol. Its IUPAC name is dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride.

Molecular Properties

Compound Namedipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride
PubChem CID160788257
Molecular FormulaC114H124Cl5K2N15O13
Molecular Weight2167.80 g/mol
Exact Mass2163.72
IUPAC Namedipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride
SMILESCC(C)(C)OC(=O)Nc1ccc(O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(OCc2ccncc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3)c3ccccc23)cc1.Cl.Cl.Cl.Cl.ClCc1ccncc1.Nc1ccc(O)c2ccccc12.Nc1ccc(OCc2ccncc2)c2ccccc12.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C31H31N5O2.C21H22N2O3.C16H14N2O.C15H17NO3.C14H19N3.C10H9NO.C6H6ClN.CH2O3.4ClH.2K.H/c1-21-9-11-23(12-10-21)36-29(19-28(35-36)31(2,3)4)34-30(37)33-26-13-14-27(25-8-6-5-7-24(25)26)38-20-22-15-17-32-18-16-22;1-21(2,3)26-20(24)23-18-8-9-19(17-7-5-4-6-16(17)18)25-14-15-10-12-22-13-11-15;17-15-5-6-16(14-4-2-1-3-13(14)15)19-11-12-7-9-18-10-8-12;1-15(2,3)19-14(18)16-12-8-9-13(17)11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-6-1-3-8-4-2-6;2-1-4-3;;;;;;;/h5-19H,20H2,1-4H3,(H2,33,34,37);4-13H,14H2,1-3H3,(H,23,24);1-10H,11,17H2;4-9,17H,1-3H3,(H,16,18);5-9H,15H2,1-4H3;1-6,12H,11H2;1-4H,5H2;1,3H;4*1H;;;/q;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyOVEBMCQEBUMMCT-UHFFFAOYSA-M
XLogP20.95
TPSA400.56 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.80
LogP ≤ 520.95
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride with MolForge

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Related Compounds

dipotassium;acetonitrile;1-bromo-2-chloroethane;tert-butyl N-[4-(2-chloroethoxy)naphthalen-1-yl]carbamate;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;tert-butyl N-[4-(2-iodoethoxy)naphthalen-1-yl]carbamate;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]naphthalen-1-yl]urea;hydride;oxido formate;4-[2-(1-oxo-1,4-thiazinan-4-yl)ethoxy]naphthalen-1-amine;phenyl N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate;thiomorpholine
CID 158770349
tert-butyl N-[4-[2-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-methylpropyl]-2-pyridinyl]carbamate
CID 58416777
tert-butyl N-[[5-[[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]methyl]carbamate;tert-butyl N-[[5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]methyl]carbamate;phenyl N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
CID 158520514
1-[4-[(2-amino-4-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]urea
CID 163654484
1-[3-tert-butyl-1-(4-sulfanylphenyl)pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
CID 70917349
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[hydroxymethyl(pyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 126615749
1-[4-[(6-amino-5-ethyl-2-pyridinyl)methoxy]naphthalen-1-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 91405632
N-[5-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-ethylphenyl]-2-hydroxyacetamide
CID 123517658
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(methylamino)pyrimidin-4-yl]methoxy]naphthalen-1-yl]urea
CID 22379810
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(3-pyridin-3-ylpropoxy)naphthalen-1-yl]urea
CID 91571219
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-chloroacetamide;N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-pyrrolidin-1-ylacetamide;pyrrolidine
CID 158677906
N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 118885382

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride?
The IUPAC name of dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride (CID 160788257) is dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride.
What is the SMILES notation for dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride?
The canonical SMILES for dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride is CC(C)(C)OC(=O)Nc1ccc(O)c2ccccc12.CC(C)(C)OC(=O)Nc1ccc(OCc2ccncc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccncc3)c3ccccc23)cc1.Cl.Cl.Cl.Cl.ClCc1ccncc1.Nc1ccc(O)c2ccccc12.Nc1ccc(OCc2ccncc2)c2ccccc12.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride?
The InChIKey is OVEBMCQEBUMMCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H31N5O2.C21H22N2O3.C16H14N2O.C15H17NO3.C14H19N3.C10H9NO.C6H6ClN.CH2O3.4ClH.2K.H/c1-21-9-11-23(12-10-21)36-29(19-28(35-36)31(2,3)4)34-30(37)33-26-13-14-27(25-8-6-5-7-24(25)26)38-20-22-15-17-32-18-16-22;1-21(2,3)26-20(24)23-18-8-9-19(17-7-5-4-6-16(17)18)25-14-15-10-12-22-13-11-15;17-15-5-6-16(14-4-2-1-3-13(14)15)19-11-12-7-9-18-10-8-12;1-15(2,3)19-14(18)16-12-8-9-13(17)11-7-5-4-6-10(11)12;1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;11-9-5-6-10(12)8-4-2-1-3-7(8)9;7-5-6-1-3-8-4-2-6;2-1-4-3;;;;;;;/h5-19H,20H2,1-4H3,(H2,33,34,37);4-13H,14H2,1-3H3,(H,23,24);1-10H,11,17H2;4-9,17H,1-3H3,(H,16,18);5-9H,15H2,1-4H3;1-6,12H,11H2;1-4H,5H2;1,3H;4*1H;;;/q;;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride?
dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride has a molecular weight of 2167.80 g/mol, XLogP of 20.95, 17 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-aminonaphthalen-1-ol;tert-butyl N-(4-hydroxynaphthalen-1-yl)carbamate;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]urea;tert-butyl N-[4-(pyridin-4-ylmethoxy)naphthalen-1-yl]carbamate;4-(chloromethyl)pyridine;hydride;oxido formate;4-(pyridin-4-ylmethoxy)naphthalen-1-amine;tetrahydrochloride is sourced from PubChem (CID 160788257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).