1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine

C50H48F2N12O2 — CID 90969908

IUPAC1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine
SMILESFc1cc(-c2cc(N3CCOCC3)nc(N(c3cccc4c3CCNC4)N(c3ccc4c(c3)CNCC4)c3nc(-c4c(F)ccc5[nH]ccc45)cc(N4CCOCC4)n3)n2)c2cc[nH]c2c1
InChIInChI=1S/C50H48F2N12O2/c51-34-25-39(37-10-14-56-42(37)26-34)43-27-46(61-16-20-65-21-17-61)60-50(57-43)64(45-3-1-2-32-29-54-13-9-36(32)45)63(35-5-4-31-8-12-53-30-33(31)24-35)49-58-44(28-47(59-49)62-18-22-66-23-19-62)48-38-11-15-55-41(38)7-6-40(48)52/h1-7,10-11,14-15,24-28,53-56H,8-9,12-13,16-23,29-30H2
InChIKeyGQYFRIXKZQBOJD-UHFFFAOYSA-N
MW887.01 g/mol
LogP7.70
Rot. Bonds9

About 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine

1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine (PubChem CID 90969908) has the molecular formula C50H48F2N12O2 and a molecular weight of 887.01 g/mol. Its IUPAC name is 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine.

Molecular Properties

Compound Name1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine
PubChem CID90969908
Molecular FormulaC50H48F2N12O2
Molecular Weight887.01 g/mol
Exact Mass886.40
IUPAC Name1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine
SMILESFc1cc(-c2cc(N3CCOCC3)nc(N(c3cccc4c3CCNC4)N(c3ccc4c(c3)CNCC4)c3nc(-c4c(F)ccc5[nH]ccc45)cc(N4CCOCC4)n3)n2)c2cc[nH]c2c1
InChIInChI=1S/C50H48F2N12O2/c51-34-25-39(37-10-14-56-42(37)26-34)43-27-46(61-16-20-65-21-17-61)60-50(57-43)64(45-3-1-2-32-29-54-13-9-36(32)45)63(35-5-4-31-8-12-53-30-33(31)24-35)49-58-44(28-47(59-49)62-18-22-66-23-19-62)48-38-11-15-55-41(38)7-6-40(48)52/h1-7,10-11,14-15,24-28,53-56H,8-9,12-13,16-23,29-30H2
InChIKeyGQYFRIXKZQBOJD-UHFFFAOYSA-N
XLogP7.70
TPSA138.62 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.01
LogP ≤ 57.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine with MolForge

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Launch Full Analysis

Related Compounds

4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
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
Pyrazolo pyrimidine, 5o
CID 44520819
5-N-(1H-indol-3-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253331
4-((2-(5-fluoro-1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)morpholine
CID 53378900
4-[8-(1H-indol-4-yl)-2-morpholin-4-yl-7H-purin-6-yl]morpholine
CID 60148843
CID 162641668
CID 162641668
5-N-[2-(1H-indol-3-yl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidine-4,5-diamine
CID 10253975
4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
CID 57398248
2-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
CID 78225483
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-methylmorpholine
CID 168271870

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine?
The IUPAC name of 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine (CID 90969908) is 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine.
What is the SMILES notation for 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine?
The canonical SMILES for 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine is Fc1cc(-c2cc(N3CCOCC3)nc(N(c3cccc4c3CCNC4)N(c3ccc4c(c3)CNCC4)c3nc(-c4c(F)ccc5[nH]ccc45)cc(N4CCOCC4)n3)n2)c2cc[nH]c2c1.
What is the InChIKey of 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine?
The InChIKey is GQYFRIXKZQBOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48F2N12O2/c51-34-25-39(37-10-14-56-42(37)26-34)43-27-46(61-16-20-65-21-17-61)60-50(57-43)64(45-3-1-2-32-29-54-13-9-36(32)45)63(35-5-4-31-8-12-53-30-33(31)24-35)49-58-44(28-47(59-49)62-18-22-66-23-19-62)48-38-11-15-55-41(38)7-6-40(48)52/h1-7,10-11,14-15,24-28,53-56H,8-9,12-13,16-23,29-30H2.
What are the key properties of 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine?
1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine has a molecular weight of 887.01 g/mol, XLogP of 7.70, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine is sourced from PubChem (CID 90969908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).