2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C79H70BBr2F3N20O4 — CID 163726933

IUPAC2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.Cc1ncnc2ccc(-c3cc(-c4cn[nH]c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(-c4cnn(CC(N)=O)c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.NC(=O)CBr
InChIInChI=1S/C25H20FN7O.C23H17FN6.C20H14BrFN4.C9H15BN2O2.C2H4BrNO/c1-14-19-8-16(4-7-22(19)30-13-29-14)20-9-21(17-10-31-33(11-17)12-23(27)34)25(28)32-24(20)15-2-5-18(26)6-3-15;1-13-18-8-15(4-7-21(18)27-12-26-13)19-9-20(16-10-28-29-11-16)23(25)30-22(19)14-2-5-17(24)6-3-14;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21)20(23)26-19(16)12-2-5-14(22)6-3-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;3-1-2(4)5/h2-11,13H,12H2,1H3,(H2,27,34)(H2,28,32);2-12H,1H3,(H2,25,30)(H,28,29);2-10H,1H3,(H2,23,26);5-6H,1-4H3,(H,11,12);1H2,(H2,4,5)
InChIKeyKWKQBNGWRTZQIH-UHFFFAOYSA-N
MW1591.18 g/mol
LogP14.24
Rot. Bonds12

About 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 163726933) has the molecular formula C79H70BBr2F3N20O4 and a molecular weight of 1591.18 g/mol. Its IUPAC name is 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
PubChem CID163726933
Molecular FormulaC79H70BBr2F3N20O4
Molecular Weight1591.18 g/mol
Exact Mass1588.43
IUPAC Name2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.Cc1ncnc2ccc(-c3cc(-c4cn[nH]c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(-c4cnn(CC(N)=O)c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.NC(=O)CBr
InChIInChI=1S/C25H20FN7O.C23H17FN6.C20H14BrFN4.C9H15BN2O2.C2H4BrNO/c1-14-19-8-16(4-7-22(19)30-13-29-14)20-9-21(17-10-31-33(11-17)12-23(27)34)25(28)32-24(20)15-2-5-18(26)6-3-15;1-13-18-8-15(4-7-21(18)27-12-26-13)19-9-20(16-10-28-29-11-16)23(25)30-22(19)14-2-5-17(24)6-3-14;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21)20(23)26-19(16)12-2-5-14(22)6-3-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;3-1-2(4)5/h2-11,13H,12H2,1H3,(H2,27,34)(H2,28,32);2-12H,1H3,(H2,25,30)(H,28,29);2-10H,1H3,(H2,23,26);5-6H,1-4H3,(H,11,12);1H2,(H2,4,5)
InChIKeyKWKQBNGWRTZQIH-UHFFFAOYSA-N
XLogP14.24
TPSA373.89 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001591.18
LogP ≤ 514.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole with MolForge

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Related Compounds

1-[5-(2-Amino-8-ethylquinazolin-6-yl)-1-methylpyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;6-bromo-8-ethylquinazolin-2-amine;1-(5-bromo-1-methylpyrazol-3-yl)-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea;8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159234398
4-bromo-2-fluoropyridine;bis(4-bromo-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine);6-bromoquinazolin-4-amine;2-pyrrolidin-1-ylethanamine;bis(6-[2-(3-pyrrolidin-1-ylpropyl)-4-pyridinyl]quinazolin-4-amine);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-4-amine
CID 157485967
3-(1H-benzimidazol-2-yl)-1-methyl-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-3-yl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4-methyl-5-pyridin-3-ylpyridine);3,5-dibromo-4-methylpyridine;pyridin-3-ylboronic acid
CID 157737998
8-Bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;bis(7-phenyl-8-quinolin-6-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157831061
1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;1-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-3,4-dihydro-2H-1,7-naphthyridin-1-yl]ethanone;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(1-(5-bromo-3,4-dihydro-2H-1,7-naphthyridin-1-yl)ethanone);5-bromo-1-methyl-3,4-dihydro-2H-1,7-naphthyridine;5-bromo-1,2,3,4-tetrahydro-1,7-naphthyridine
CID 158833290
8-Bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromoquinoline;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158862912
6-Bromo-8-fluoroquinoline;8-bromo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;bis(8-(8-fluoroquinolin-6-yl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine);8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159014571
6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 159291031
6-[(5-bromotriazolo[4,5-b]pyrazin-3-yl)methyl]-7-fluoroquinoline;7-fluoro-6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 159692999
8-Bromo-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-bromoquinoline;7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160296591
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)phenyl]acetamide;N-[3-(morpholin-4-ylmethyl)-5-[[6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]acetamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 160882817
3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine
CID 161268415

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The IUPAC name of 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 163726933) is 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The canonical SMILES for 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.Cc1ncnc2ccc(-c3cc(-c4cn[nH]c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(-c4cnn(CC(N)=O)c4)c(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(-c3cc(Br)c(N)nc3-c3ccc(F)cc3)cc12.NC(=O)CBr.
What is the InChIKey of 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The InChIKey is KWKQBNGWRTZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O.C23H17FN6.C20H14BrFN4.C9H15BN2O2.C2H4BrNO/c1-14-19-8-16(4-7-22(19)30-13-29-14)20-9-21(17-10-31-33(11-17)12-23(27)34)25(28)32-24(20)15-2-5-18(26)6-3-15;1-13-18-8-15(4-7-21(18)27-12-26-13)19-9-20(16-10-28-29-11-16)23(25)30-22(19)14-2-5-17(24)6-3-14;1-11-15-8-13(4-7-18(15)25-10-24-11)16-9-17(21)20(23)26-19(16)12-2-5-14(22)6-3-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;3-1-2(4)5/h2-11,13H,12H2,1H3,(H2,27,34)(H2,28,32);2-12H,1H3,(H2,25,30)(H,28,29);2-10H,1H3,(H2,23,26);5-6H,1-4H3,(H,11,12);1H2,(H2,4,5).
What are the key properties of 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1591.18 g/mol, XLogP of 14.24, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-pyridinyl]pyrazol-1-yl]acetamide;2-bromoacetamide;3-bromo-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)-3-(1H-pyrazol-4-yl)pyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 163726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).