6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole

C34H29BrN12 — CID 162255414

IUPAC6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole
SMILESCc1nc(Nc2cccnc2)nc2ccc(-n3cccn3)cc12.Cc1nc(Nc2cccnc2)nc2ccc(Br)cc12.c1cn[nH]c1
InChIInChI=1S/C17H14N6.C14H11BrN4.C3H4N2/c1-12-15-10-14(23-9-3-8-19-23)5-6-16(15)22-17(20-12)21-13-4-2-7-18-11-13;1-9-12-7-10(15)4-5-13(12)19-14(17-9)18-11-3-2-6-16-8-11;1-2-4-5-3-1/h2-11H,1H3,(H,20,21,22);2-8H,1H3,(H,17,18,19);1-3H,(H,4,5)
InChIKeyZYNLZVJYMVDLCO-UHFFFAOYSA-N
MW685.59 g/mol
LogP7.51
Rot. Bonds5

About 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole

6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole (PubChem CID 162255414) has the molecular formula C34H29BrN12 and a molecular weight of 685.59 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole.

Molecular Properties

Compound Name6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole
PubChem CID162255414
Molecular FormulaC34H29BrN12
Molecular Weight685.59 g/mol
Exact Mass684.18
IUPAC Name6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole
SMILESCc1nc(Nc2cccnc2)nc2ccc(-n3cccn3)cc12.Cc1nc(Nc2cccnc2)nc2ccc(Br)cc12.c1cn[nH]c1
InChIInChI=1S/C17H14N6.C14H11BrN4.C3H4N2/c1-12-15-10-14(23-9-3-8-19-23)5-6-16(15)22-17(20-12)21-13-4-2-7-18-11-13;1-9-12-7-10(15)4-5-13(12)19-14(17-9)18-11-3-2-6-16-8-11;1-2-4-5-3-1/h2-11H,1H3,(H,20,21,22);2-8H,1H3,(H,17,18,19);1-3H,(H,4,5)
InChIKeyZYNLZVJYMVDLCO-UHFFFAOYSA-N
XLogP7.51
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500685.59
LogP ≤ 57.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole with MolForge

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Related Compounds

N-(4-(3-(6-methylpyridin-3-yl)-1H-1,2,4-triazol-1-yl)phenyl)-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 54587176
6-bromo-2-N-(1H-indazol-5-yl)-4-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137645749
6-bromo-4-N-(1H-indazol-5-yl)-2-N-[2-(1H-indol-3-yl)ethyl]quinazoline-2,4-diamine
CID 137651558
3-bromo-N-(1-piperidin-4-ylpyrazol-4-yl)-1-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 168292622
9-bromo-3-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-2,4,5,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene
CID 136229576
7-[2-[5-[4-Amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-3-bromoquinolin-2-amine
CID 156304023
4-N-(4-bromophenyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N-[(Z)-1H-indol-3-ylmethylideneamino]-1,3,5-triazine-2,4-diamine
CID 136700612
2-[5-(4-bromophenyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 137636446
6-[3-(4-bromophenyl)-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)pyrazol-1-yl]pyridazin-3-amine
CID 137655737
5-bromo-4-N-(1H-indazol-5-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 141481838
US10292985, Example 12
CID 126676846
N-(4-bromo-2-methylphenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171345126

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole?
The IUPAC name of 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole (CID 162255414) is 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole.
What is the SMILES notation for 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole?
The canonical SMILES for 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole is Cc1nc(Nc2cccnc2)nc2ccc(-n3cccn3)cc12.Cc1nc(Nc2cccnc2)nc2ccc(Br)cc12.c1cn[nH]c1.
What is the InChIKey of 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole?
The InChIKey is ZYNLZVJYMVDLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6.C14H11BrN4.C3H4N2/c1-12-15-10-14(23-9-3-8-19-23)5-6-16(15)22-17(20-12)21-13-4-2-7-18-11-13;1-9-12-7-10(15)4-5-13(12)19-14(17-9)18-11-3-2-6-16-8-11;1-2-4-5-3-1/h2-11H,1H3,(H,20,21,22);2-8H,1H3,(H,17,18,19);1-3H,(H,4,5).
What are the key properties of 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole?
6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole has a molecular weight of 685.59 g/mol, XLogP of 7.51, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-pyrazol-1-yl-N-pyridin-3-ylquinazolin-2-amine;1H-pyrazole is sourced from PubChem (CID 162255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).