4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C40H41BrN12O2 — CID 157218191

IUPAC4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESBrc1ccnc(N2CCOCC2)c1.Cn1cncc1-c1ccc2cn[nH]c2c1.Cn1cncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-21-13-19(24)15-2-3-16-12-23-26(18(16)10-15)17-4-5-22-20(11-17)25-6-8-27-9-7-25;1-15-7-12-6-11(15)8-2-3-9-5-13-14-10(9)4-8;10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h2-5,10-14H,6-9H2,1H3;2-7H,1H3,(H,13,14);1-2,7H,3-6H2
InChIKeyASQYUSKXXVDIBJ-UHFFFAOYSA-N
MW801.75 g/mol
LogP6.30
Rot. Bonds5

About 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 157218191) has the molecular formula C40H41BrN12O2 and a molecular weight of 801.75 g/mol. Its IUPAC name is 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID157218191
Molecular FormulaC40H41BrN12O2
Molecular Weight801.75 g/mol
Exact Mass800.27
IUPAC Name4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESBrc1ccnc(N2CCOCC2)c1.Cn1cncc1-c1ccc2cn[nH]c2c1.Cn1cncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-21-13-19(24)15-2-3-16-12-23-26(18(16)10-15)17-4-5-22-20(11-17)25-6-8-27-9-7-25;1-15-7-12-6-11(15)8-2-3-9-5-13-14-10(9)4-8;10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h2-5,10-14H,6-9H2,1H3;2-7H,1H3,(H,13,14);1-2,7H,3-6H2
InChIKeyASQYUSKXXVDIBJ-UHFFFAOYSA-N
XLogP6.30
TPSA132.86 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.75
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Related Compounds

Entospletinib
CID 59473233
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
N-[4-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 156011601
6-(1H-indazol-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 156012031
N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-7-yl)pyrimidine-2,4-diamine
CID 52940902
4-[3-bromo-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57398382
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473079
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethyl-N-(2-methoxyethyl)-N-methylquinolin-4-amine
CID 156303996
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-2-ethyl-N-(2-methoxyethyl)quinolin-4-amine
CID 156304091
4-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]morpholine
CID 136273082
4-[8-methyl-9-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]purin-6-yl]morpholine
CID 137637969
6-(1H-indazol-6-yl)-N-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 156010236

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 157218191) is 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is Brc1ccnc(N2CCOCC2)c1.Cn1cncc1-c1ccc2cn[nH]c2c1.Cn1cncc1-c1ccc2cnn(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is ASQYUSKXXVDIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-21-13-19(24)15-2-3-16-12-23-26(18(16)10-15)17-4-5-22-20(11-17)25-6-8-27-9-7-25;1-15-7-12-6-11(15)8-2-3-9-5-13-14-10(9)4-8;10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h2-5,10-14H,6-9H2,1H3;2-7H,1H3,(H,13,14);1-2,7H,3-6H2.
What are the key properties of 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 801.75 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 157218191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).