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

C95H119BBr4FN25O2 — CID 157485967

IUPAC4-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
SMILESBrc1ccnc(NCCN2CCCC2)c1.Brc1ccnc(NCCN2CCCC2)c1.CC1(C)OB(c2ccc3ncnc(N)c3c2)OC1(C)C.Fc1cc(Br)ccn1.NCCN1CCCC1.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/2C20H23N5.C14H18BN3O2.2C11H16BrN3.C8H6BrN3.C6H14N2.C5H3BrFN/c2*21-20-18-13-15(5-6-19(18)23-14-24-20)16-7-8-22-17(12-16)4-3-11-25-9-1-2-10-25;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(16)18-8-17-11;2*12-10-3-4-13-11(9-10)14-5-8-15-6-1-2-7-15;9-5-1-2-7-6(3-5)8(10)12-4-11-7;7-3-6-8-4-1-2-5-8;6-4-1-2-8-5(7)3-4/h2*5-8,12-14H,1-4,9-11H2,(H2,21,23,24);5-8H,1-4H3,(H2,16,17,18);2*3-4,9H,1-2,5-8H2,(H,13,14);1-4H,(H2,10,11,12);1-7H2;1-3H
InChIKeyBWSHGXYPYSRJKR-UHFFFAOYSA-N
MW1992.60 g/mol
LogP16.82
Rot. Bonds21

About 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

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 (PubChem CID 157485967) has the molecular formula C95H119BBr4FN25O2 and a molecular weight of 1992.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157485967
Molecular FormulaC95H119BBr4FN25O2
Molecular Weight1992.60 g/mol
Exact Mass1987.68
IUPAC Name4-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
SMILESBrc1ccnc(NCCN2CCCC2)c1.Brc1ccnc(NCCN2CCCC2)c1.CC1(C)OB(c2ccc3ncnc(N)c3c2)OC1(C)C.Fc1cc(Br)ccn1.NCCN1CCCC1.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/2C20H23N5.C14H18BN3O2.2C11H16BrN3.C8H6BrN3.C6H14N2.C5H3BrFN/c2*21-20-18-13-15(5-6-19(18)23-14-24-20)16-7-8-22-17(12-16)4-3-11-25-9-1-2-10-25;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(16)18-8-17-11;2*12-10-3-4-13-11(9-10)14-5-8-15-6-1-2-7-15;9-5-1-2-7-6(3-5)8(10)12-4-11-7;7-3-6-8-4-1-2-5-8;6-4-1-2-8-5(7)3-4/h2*5-8,12-14H,1-4,9-11H2,(H2,21,23,24);5-8H,1-4H3,(H2,16,17,18);2*3-4,9H,1-2,5-8H2,(H,13,14);1-4H,(H2,10,11,12);1-7H2;1-3H
InChIKeyBWSHGXYPYSRJKR-UHFFFAOYSA-N
XLogP16.82
TPSA356.39 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.60
LogP ≤ 516.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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 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
CID 157340704
CID 157340704
CID 157683818
CID 157683818
CID 157825799
CID 157825799
CID 157903058
CID 157903058
6-Bromo-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine;5-(8-fluoroquinolin-6-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158034720
7-Bromo-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;7-(1-ethylpyrazol-4-yl)-2-[[(4-fluorophenyl)methylamino]methyl]imidazo[1,2-c]quinazolin-5-amine;1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158201495
6-Bromo-9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]pyrido[2,3-b]indole;6-bromo-9-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]pyrido[2,3-b]indole;6-bromo-9-phenylpyrido[2,3-b]indole;6-bromo-9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indole
CID 158292937
3-Bromo-9-phenylcarbazole;13-(9-phenylcarbazol-3-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene;13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,10,19-triazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18(23),19,21,24-dodecaene
CID 158424578
4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 158590430
CID 158652859
CID 158652859
5-bromo-1,3-dimethylindazole;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(3-methyl-2H-indazol-5-yl)-6-piperazin-1-ylimidazo[1,2-b]pyridazine;3-(3-methyl-1H-isoindol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 158706261

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccnc(NCCN2CCCC2)c1.Brc1ccnc(NCCN2CCCC2)c1.CC1(C)OB(c2ccc3ncnc(N)c3c2)OC1(C)C.Fc1cc(Br)ccn1.NCCN1CCCC1.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(-c3ccnc(CCCN4CCCC4)c3)cc12.Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of 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?
The InChIKey is BWSHGXYPYSRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23N5.C14H18BN3O2.2C11H16BrN3.C8H6BrN3.C6H14N2.C5H3BrFN/c2*21-20-18-13-15(5-6-19(18)23-14-24-20)16-7-8-22-17(12-16)4-3-11-25-9-1-2-10-25;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(16)18-8-17-11;2*12-10-3-4-13-11(9-10)14-5-8-15-6-1-2-7-15;9-5-1-2-7-6(3-5)8(10)12-4-11-7;7-3-6-8-4-1-2-5-8;6-4-1-2-8-5(7)3-4/h2*5-8,12-14H,1-4,9-11H2,(H2,21,23,24);5-8H,1-4H3,(H2,16,17,18);2*3-4,9H,1-2,5-8H2,(H,13,14);1-4H,(H2,10,11,12);1-7H2;1-3H.
What are the key properties of 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?
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 has a molecular weight of 1992.60 g/mol, XLogP of 16.82, 21 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157485967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).