5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium

C81H116Cl2N15O22Pd- — CID 164985341

IUPAC5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium
SMILESC.CC(C)CO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(O)cc1[N+](=O)[O-].COc1ccc(OCC(C)C)cc1N.COc1ccc(OCC(C)C)cc1[N+](=O)[O-].COc1ccc(OC[C@@H](C)N)cc1N.COc1ccc(OC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.[CH3-].[Pd]
InChIInChI=1S/C23H29ClN6O5.C13H15ClN4O4.C11H15NO4.C11H17NO2.C10H16N2O2.C7H7NO4.C4H10O.CH4.CH3.Pd/c1-13(12-34-14-7-8-17(33-6)16(25)9-14)27-21(31)15-11-26-30-19(10-18(24)28-20(15)30)29(5)22(32)35-23(2,3)4;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(2)7-16-9-4-5-11(15-3)10(6-9)12(13)14;1-8(2)7-14-9-4-5-11(13-3)10(12)6-9;1-7(11)6-14-8-3-4-10(13-2)9(12)5-8;1-12-7-3-2-5(9)4-6(7)8(10)11;1-4(2)3-5;;;/h7-11,13H,12,25H2,1-6H3,(H,27,31);5-6H,1-4H3,(H,19,20);4-6,8H,7H2,1-3H3;4-6,8H,7,12H2,1-3H3;3-5,7H,6,11-12H2,1-2H3;2-4,9H,1H3;4-5H,3H2,1-2H3;1H4;1H3;/q;;;;;;;;-1;/t13-;;;;7-;;;;;/m1...1...../s1
InChIKeyRCFVZFSPSYPEAW-FNANCIKXSA-N
MW1829.23 g/mol
LogP14.98
Rot. Bonds25

About 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium

5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium (PubChem CID 164985341) has the molecular formula C81H116Cl2N15O22Pd- and a molecular weight of 1829.23 g/mol. Its IUPAC name is 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium.

Molecular Properties

Compound Name5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium
PubChem CID164985341
Molecular FormulaC81H116Cl2N15O22Pd-
Molecular Weight1829.23 g/mol
Exact Mass1826.68
IUPAC Name5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium
SMILESC.CC(C)CO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(O)cc1[N+](=O)[O-].COc1ccc(OCC(C)C)cc1N.COc1ccc(OCC(C)C)cc1[N+](=O)[O-].COc1ccc(OC[C@@H](C)N)cc1N.COc1ccc(OC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.[CH3-].[Pd]
InChIInChI=1S/C23H29ClN6O5.C13H15ClN4O4.C11H15NO4.C11H17NO2.C10H16N2O2.C7H7NO4.C4H10O.CH4.CH3.Pd/c1-13(12-34-14-7-8-17(33-6)16(25)9-14)27-21(31)15-11-26-30-19(10-18(24)28-20(15)30)29(5)22(32)35-23(2,3)4;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(2)7-16-9-4-5-11(15-3)10(6-9)12(13)14;1-8(2)7-14-9-4-5-11(13-3)10(12)6-9;1-7(11)6-14-8-3-4-10(13-2)9(12)5-8;1-12-7-3-2-5(9)4-6(7)8(10)11;1-4(2)3-5;;;/h7-11,13H,12,25H2,1-6H3,(H,27,31);5-6H,1-4H3,(H,19,20);4-6,8H,7H2,1-3H3;4-6,8H,7,12H2,1-3H3;3-5,7H,6,11-12H2,1-2H3;2-4,9H,1H3;4-5H,3H2,1-2H3;1H4;1H3;/q;;;;;;;;-1;/t13-;;;;7-;;;;;/m1...1...../s1
InChIKeyRCFVZFSPSYPEAW-FNANCIKXSA-N
XLogP14.98
TPSA499.75 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001829.23
LogP ≤ 514.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium with MolForge

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Related Compounds

tert-butyl N-[5-chloro-3-[1-[(3-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-ylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 155103062
tert-butyl N-[3-[[(2R)-1-[(3-bromo-4-methoxy-5-nitrophenyl)methoxy]propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 164786194
tert-butyl N-[5-chloro-3-(2-methoxyacetyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 176913724
tert-butyl N-[6-chloro-3-[1-[(2-fluoro-4-methoxy-5-nitrophenyl)methoxy]propan-2-ylcarbamoyl]imidazo[1,2-b]pyridazin-8-yl]-N-methylcarbamate
CID 155692138
tert-butyl N-[5-chloro-3-[[(1R)-2-methylcyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 163747151
tert-butyl N-[5-chloro-3-[[(1R,2R)-2-ethoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 139383826
[5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]boronic acid
CID 176913758
tert-butyl N-[5-chloro-3-[[(1R,3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457760
5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 137449309
tert-butyl N-[3-[(3-hydroxy-2-methylpropyl)carbamoyl]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate
CID 137457817
ethane;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 142524014
tert-butyl 3-(4-methoxy-3-nitrophenoxy)propanoate
CID 103201539

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium?
The IUPAC name of 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium (CID 164985341) is 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium.
What is the SMILES notation for 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium?
The canonical SMILES for 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium is C.CC(C)CO.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.COc1ccc(O)cc1[N+](=O)[O-].COc1ccc(OCC(C)C)cc1N.COc1ccc(OCC(C)C)cc1[N+](=O)[O-].COc1ccc(OC[C@@H](C)N)cc1N.COc1ccc(OC[C@@H](C)NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)cc1N.[CH3-].[Pd].
What is the InChIKey of 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium?
The InChIKey is RCFVZFSPSYPEAW-FNANCIKXSA-N. The full InChI is InChI=1S/C23H29ClN6O5.C13H15ClN4O4.C11H15NO4.C11H17NO2.C10H16N2O2.C7H7NO4.C4H10O.CH4.CH3.Pd/c1-13(12-34-14-7-8-17(33-6)16(25)9-14)27-21(31)15-11-26-30-19(10-18(24)28-20(15)30)29(5)22(32)35-23(2,3)4;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;1-8(2)7-16-9-4-5-11(15-3)10(6-9)12(13)14;1-8(2)7-14-9-4-5-11(13-3)10(12)6-9;1-7(11)6-14-8-3-4-10(13-2)9(12)5-8;1-12-7-3-2-5(9)4-6(7)8(10)11;1-4(2)3-5;;;/h7-11,13H,12,25H2,1-6H3,(H,27,31);5-6H,1-4H3,(H,19,20);4-6,8H,7H2,1-3H3;4-6,8H,7,12H2,1-3H3;3-5,7H,6,11-12H2,1-2H3;2-4,9H,1H3;4-5H,3H2,1-2H3;1H4;1H3;/q;;;;;;;;-1;/t13-;;;;7-;;;;;/m1...1...../s1.
What are the key properties of 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium?
5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium has a molecular weight of 1829.23 g/mol, XLogP of 14.98, 25 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-aminopropoxy]-2-methoxyaniline;tert-butyl N-[3-[[(2R)-1-(3-amino-4-methoxyphenoxy)propan-2-yl]carbamoyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;carbanide;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;methane;2-methoxy-5-(2-methylpropoxy)aniline;1-methoxy-4-(2-methylpropoxy)-2-nitrobenzene;4-methoxy-3-nitrophenol;2-methylpropan-1-ol;palladium is sourced from PubChem (CID 164985341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).