1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine

C44H40F2N12O2 — CID 91098940

IUPAC1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine
SMILESFc1cc(-c2cc(N3CCOCC3)nc(N(c3cccnc3)N(CCc3cccnc3)c3cc(N4CCOCC4)nc(-c4cc(F)cc5[nH]ccc45)n3)n2)c2cc[nH]c2c1
InChIInChI=1S/C44H40F2N12O2/c45-30-21-35(33-5-10-49-37(33)23-30)39-25-40(55-13-17-59-18-14-55)54-44(51-39)58(32-4-2-9-48-28-32)57(12-7-29-3-1-8-47-27-29)42-26-41(56-15-19-60-20-16-56)52-43(53-42)36-22-31(46)24-38-34(36)6-11-50-38/h1-6,8-11,21-28,49-50H,7,12-20H2
InChIKeyKRQAFPARVLYHKS-UHFFFAOYSA-N
MW806.88 g/mol
LogP7.11
Rot. Bonds11

About 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine

1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine (PubChem CID 91098940) has the molecular formula C44H40F2N12O2 and a molecular weight of 806.88 g/mol. Its IUPAC name is 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine.

Molecular Properties

Compound Name1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine
PubChem CID91098940
Molecular FormulaC44H40F2N12O2
Molecular Weight806.88 g/mol
Exact Mass806.34
IUPAC Name1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine
SMILESFc1cc(-c2cc(N3CCOCC3)nc(N(c3cccnc3)N(CCc3cccnc3)c3cc(N4CCOCC4)nc(-c4cc(F)cc5[nH]ccc45)n3)n2)c2cc[nH]c2c1
InChIInChI=1S/C44H40F2N12O2/c45-30-21-35(33-5-10-49-37(33)23-30)39-25-40(55-13-17-59-18-14-55)54-44(51-39)58(32-4-2-9-48-28-32)57(12-7-29-3-1-8-47-27-29)42-26-41(56-15-19-60-20-16-56)52-43(53-42)36-22-31(46)24-38-34(36)6-11-50-38/h1-6,8-11,21-28,49-50H,7,12-20H2
InChIKeyKRQAFPARVLYHKS-UHFFFAOYSA-N
XLogP7.11
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500806.88
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine with MolForge

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Related Compounds

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
CID 25229526
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
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
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582454
N-ethyl-6-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-8-amine
CID 146646637
8-fluoro-N-[3-(morpholin-4-yl)propyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 1945930
Pyrazolo pyrimidine, 5n
CID 44520818
Pyrazolo pyrimidine, 5o
CID 44520819
Pyrazolo pyrimidine, 5q
CID 44520821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine?
The IUPAC name of 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine (CID 91098940) is 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine.
What is the SMILES notation for 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine?
The canonical SMILES for 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine is Fc1cc(-c2cc(N3CCOCC3)nc(N(c3cccnc3)N(CCc3cccnc3)c3cc(N4CCOCC4)nc(-c4cc(F)cc5[nH]ccc45)n3)n2)c2cc[nH]c2c1.
What is the InChIKey of 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine?
The InChIKey is KRQAFPARVLYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40F2N12O2/c45-30-21-35(33-5-10-49-37(33)23-30)39-25-40(55-13-17-59-18-14-55)54-44(51-39)58(32-4-2-9-48-28-32)57(12-7-29-3-1-8-47-27-29)42-26-41(56-15-19-60-20-16-56)52-43(53-42)36-22-31(46)24-38-34(36)6-11-50-38/h1-6,8-11,21-28,49-50H,7,12-20H2.
What are the key properties of 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine?
1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine has a molecular weight of 806.88 g/mol, XLogP of 7.11, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)hydrazine is sourced from PubChem (CID 91098940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).