1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine

C47H45F3N12O2 — CID 91239943

IUPAC1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1cccc(CCN(c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)N(CCc2ccnc(F)c2)c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C47H45F3N12O2/c1-30-3-2-4-32(54-30)13-18-62(47-56-40(29-43(58-47)60-21-25-64-26-22-60)45-34-11-16-52-38(34)8-6-36(45)49)61(17-12-31-9-14-53-41(50)27-31)46-55-39(28-42(57-46)59-19-23-63-24-20-59)44-33-10-15-51-37(33)7-5-35(44)48/h2-11,14-16,27-29,51-52H,12-13,17-26H2,1H3
InChIKeyJZEDMCJILVQYAO-UHFFFAOYSA-N
MW866.95 g/mol
LogP7.47
Rot. Bonds13

About 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine

1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine (PubChem CID 91239943) has the molecular formula C47H45F3N12O2 and a molecular weight of 866.95 g/mol. Its IUPAC name is 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine
PubChem CID91239943
Molecular FormulaC47H45F3N12O2
Molecular Weight866.95 g/mol
Exact Mass866.37
IUPAC Name1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1cccc(CCN(c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)N(CCc2ccnc(F)c2)c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C47H45F3N12O2/c1-30-3-2-4-32(54-30)13-18-62(47-56-40(29-43(58-47)60-21-25-64-26-22-60)45-34-11-16-52-38(34)8-6-36(45)49)61(17-12-31-9-14-53-41(50)27-31)46-55-39(28-42(57-46)59-19-23-63-24-20-59)44-33-10-15-51-37(33)7-5-35(44)48/h2-11,14-16,27-29,51-52H,12-13,17-26H2,1H3
InChIKeyJZEDMCJILVQYAO-UHFFFAOYSA-N
XLogP7.47
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.95
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]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
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
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
Pyrazolo pyrimidine, 5n
CID 44520818
Pyrazolo pyrimidine, 5o
CID 44520819
Pyrazolo pyrimidine, 5q
CID 44520821
Pyrazolo pyrimidine, 5r
CID 44520822
N4-(9-ethyl-9H-carbazol-3-yl)-N2-(3-morpholin-4-ylpropyl)-pyrimidine-2,4-diamine
CID 51031035
(3R)-4-[6-(5-fluoro-1H-pyrrolo[2,3-c]pyridin-4-yl)-1-methylimidazo[4,5-c]pyridin-4-yl]-3-methylmorpholine
CID 118720887

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine (CID 91239943) is 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine is Cc1cccc(CCN(c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)N(CCc2ccnc(F)c2)c2nc(-c3c(F)ccc4[nH]ccc34)cc(N3CCOCC3)n2)n1.
What is the InChIKey of 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The InChIKey is JZEDMCJILVQYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H45F3N12O2/c1-30-3-2-4-32(54-30)13-18-62(47-56-40(29-43(58-47)60-21-25-64-26-22-60)45-34-11-16-52-38(34)8-6-36(45)49)61(17-12-31-9-14-53-41(50)27-31)46-55-39(28-42(57-46)59-19-23-63-24-20-59)44-33-10-15-51-37(33)7-5-35(44)48/h2-11,14-16,27-29,51-52H,12-13,17-26H2,1H3.
What are the key properties of 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine?
1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine has a molecular weight of 866.95 g/mol, XLogP of 7.47, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-1-[2-(2-fluoro-4-pyridinyl)ethyl]-2-[2-(6-methyl-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 91239943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).