1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine

C48H36Br2N12 — CID 87729383

IUPAC1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine
SMILESBrc1cncc(-c2cc(N(CCc3c[nH]c4ccccc34)N(CCc3c[nH]c4ccccc34)c3cc(-c4cncc(Br)c4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C48H36Br2N12/c49-35-21-33(25-51-29-35)43-23-45(59-47(57-43)41-13-5-7-17-53-41)61(19-15-31-27-55-39-11-3-1-9-37(31)39)62(20-16-32-28-56-40-12-4-2-10-38(32)40)46-24-44(34-22-36(50)30-52-26-34)58-48(60-46)42-14-6-8-18-54-42/h1-14,17-18,21-30,55-56H,15-16,19-20H2
InChIKeyLDGBUHYGNUEAHE-UHFFFAOYSA-N
MW940.71 g/mol
LogP10.72
Rot. Bonds13

About 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine

1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine (PubChem CID 87729383) has the molecular formula C48H36Br2N12 and a molecular weight of 940.71 g/mol. Its IUPAC name is 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine
PubChem CID87729383
Molecular FormulaC48H36Br2N12
Molecular Weight940.71 g/mol
Exact Mass938.16
IUPAC Name1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine
SMILESBrc1cncc(-c2cc(N(CCc3c[nH]c4ccccc34)N(CCc3c[nH]c4ccccc34)c3cc(-c4cncc(Br)c4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C48H36Br2N12/c49-35-21-33(25-51-29-35)43-23-45(59-47(57-43)41-13-5-7-17-53-41)61(19-15-31-27-55-39-11-3-1-9-37(31)39)62(20-16-32-28-56-40-12-4-2-10-38(32)40)46-24-44(34-22-36(50)30-52-26-34)58-48(60-46)42-14-6-8-18-54-42/h1-14,17-18,21-30,55-56H,15-16,19-20H2
InChIKeyLDGBUHYGNUEAHE-UHFFFAOYSA-N
XLogP10.72
TPSA141.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.71
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-Indolylmethyl)-6-(4-bromophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406045
N-[2-benzyl-6-(2-methyltetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 155533138
US10167270, Example 94
CID 124168035
3-[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136491541
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137034346
3-[4-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137042180
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137145040
2-N,4-N-bis[2-(1H-indol-3-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 11305411
4-(3-bromophenyl)-N-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)pyridazino[4,5-b]indolizin-1-amine
CID 46884095
6-[2-(1H-indol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 56899209
2-(5-bromo-1H-indol-3-yl)-5-(4-methylpiperazin-1-yl)-3-propylimidazo[4,5-b]pyridine
CID 136238986
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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine?
The IUPAC name of 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine (CID 87729383) is 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine.
What is the SMILES notation for 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine?
The canonical SMILES for 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine is Brc1cncc(-c2cc(N(CCc3c[nH]c4ccccc34)N(CCc3c[nH]c4ccccc34)c3cc(-c4cncc(Br)c4)nc(-c4ccccn4)n3)nc(-c3ccccn3)n2)c1.
What is the InChIKey of 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine?
The InChIKey is LDGBUHYGNUEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36Br2N12/c49-35-21-33(25-51-29-35)43-23-45(59-47(57-43)41-13-5-7-17-53-41)61(19-15-31-27-55-39-11-3-1-9-37(31)39)62(20-16-32-28-56-40-12-4-2-10-38(32)40)46-24-44(34-22-36(50)30-52-26-34)58-48(60-46)42-14-6-8-18-54-42/h1-14,17-18,21-30,55-56H,15-16,19-20H2.
What are the key properties of 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine?
1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine has a molecular weight of 940.71 g/mol, XLogP of 10.72, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[6-(5-bromo-3-pyridinyl)-2-pyridin-2-ylpyrimidin-4-yl]-1,2-bis[2-(1H-indol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 87729383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).