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

C40H41BrN12O2 — CID 159385961

IUPAC4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESBrc1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3cn[nH]c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-17(13-22-24)15-2-3-16-12-23-26(19(16)10-15)18-4-5-21-20(11-18)25-6-8-27-9-7-25;1-15-7-10(6-13-15)8-2-3-9-5-12-14-11(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,12,14);1-2,7H,3-6H2
InChIKeyLLMNSHNTWJSFJB-UHFFFAOYSA-N
MW801.75 g/mol
LogP6.30
Rot. Bonds5

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

4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 159385961) 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-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID159385961
Molecular FormulaC40H41BrN12O2
Molecular Weight801.75 g/mol
Exact Mass800.27
IUPAC Name4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESBrc1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3cn[nH]c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1
InChIInChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-17(13-22-24)15-2-3-16-12-23-26(19(16)10-15)18-4-5-21-20(11-18)25-6-8-27-9-7-25;1-15-7-10(6-13-15)8-2-3-9-5-12-14-11(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,12,14);1-2,7H,3-6H2
InChIKeyLLMNSHNTWJSFJB-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

Analyze 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

N2-(2,6-dimorpholinopyridin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645046
9-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorobenzyl)-3,7-dioxa-9-azabicyclo[3.3.1]nonane
CID 49837198
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
N2-(2,6-dimorpholinopyrimidin-4-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645048
N2-(4,6-dimorpholinopyrimidin-2-yl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645268
(1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 49837088
US10954240, Example 18
CID 118917381
US10954240, Example 69
CID 118930238
US10954240, Example 70
CID 118930320
US10729680, Example 45
CID 130228608
4-[4-(1H-indazol-6-yl)-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 71520767
6-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine
CID 71520769

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 159385961) is 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is Brc1ccnc(N2CCOCC2)c1.Cn1cc(-c2ccc3cn[nH]c3c2)cn1.Cn1cc(-c2ccc3cnn(-c4ccnc(N5CCOCC5)c4)c3c2)cn1.
What is the InChIKey of 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is LLMNSHNTWJSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C11H10N4.C9H11BrN2O/c1-24-14-17(13-22-24)15-2-3-16-12-23-26(19(16)10-15)18-4-5-21-20(11-18)25-6-8-27-9-7-25;1-15-7-10(6-13-15)8-2-3-9-5-12-14-11(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,12,14);1-2,7H,3-6H2.
What are the key properties of 4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
4-(4-bromo-2-pyridinyl)morpholine;6-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-1H-indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 159385961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).