5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

C81H78N12O6 — CID 158204545

IUPAC5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCC5)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCCCC5)c4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H30N4O2.C27H26N4O2.C25H22N4O2/c30-17-21-15-20(9-10-29(21)35-24-11-13-34-14-12-24)25-7-4-8-27-26(25)16-28(32-27)22-18-31-33(19-22)23-5-2-1-3-6-23;28-15-19-13-18(7-8-27(19)33-22-9-11-32-12-10-22)23-5-2-6-25-24(23)14-26(30-25)20-16-29-31(17-20)21-3-1-4-21;26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h4,7-10,15-16,18-19,23-24,32H,1-3,5-6,11-14H2;2,5-8,13-14,16-17,21-22,30H,1,3-4,9-12H2;1-7,12-13,15,19,29H,8-11H2,(H2,27,28)
InChIKeyGBIKXAXVDQBKLY-UHFFFAOYSA-N
MW1315.59 g/mol
LogP17.39
Rot. Bonds14

About 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 158204545) has the molecular formula C81H78N12O6 and a molecular weight of 1315.59 g/mol. Its IUPAC name is 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID158204545
Molecular FormulaC81H78N12O6
Molecular Weight1315.59 g/mol
Exact Mass1314.62
IUPAC Name5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCC5)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCCCC5)c4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H30N4O2.C27H26N4O2.C25H22N4O2/c30-17-21-15-20(9-10-29(21)35-24-11-13-34-14-12-24)25-7-4-8-27-26(25)16-28(32-27)22-18-31-33(19-22)23-5-2-1-3-6-23;28-15-19-13-18(7-8-27(19)33-22-9-11-32-12-10-22)23-5-2-6-25-24(23)14-26(30-25)20-16-29-31(17-20)21-3-1-4-21;26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h4,7-10,15-16,18-19,23-24,32H,1-3,5-6,11-14H2;2,5-8,13-14,16-17,21-22,30H,1,3-4,9-12H2;1-7,12-13,15,19,29H,8-11H2,(H2,27,28)
InChIKeyGBIKXAXVDQBKLY-UHFFFAOYSA-N
XLogP17.39
TPSA248.67 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001315.59
LogP ≤ 517.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile with MolForge

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Related Compounds

5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118551863
2-(oxan-4-yloxy)-5-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile
CID 118551910
5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-(2-phenyl-1H-indol-4-yl)benzonitrile
CID 157345061
2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(6-morpholin-4-yl-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 157712683
2-(cyclopropylmethoxy)-5-[6-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzonitrile;5-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[6-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 157753930
5-[2-(1-tert-butylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(3-hydroxyazetidin-1-yl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile
CID 158019602
5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-methylpyrazol-4-yl)-1H-benzimidazol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-benzimidazol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 158183654
5-[2-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile
CID 158237454
(E)-3-[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-indol-2-yl]-N,N-dimethylprop-2-enamide;5-[6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-7H-cyclopenta[b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methylpyrazol-3-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 158366470
2-(cyclopropylmethoxy)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;3-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(6-piperazin-1-yl-3-pyridinyl)-1H-indol-4-yl]benzonitrile
CID 158600197
5-[2-(1-tert-butylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(3-hydroxyazetidin-1-yl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(4-piperazin-1-ylphenyl)-1H-indol-4-yl]benzonitrile
CID 158632465
4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;bis(N',N'-dimethyl-N-(4-propan-2-ylnaphthalen-2-yl)ethane-1,2-diamine);N,N-dimethyl-2-(4-propan-2-ylnaphthalen-1-yl)oxyethanamine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;4-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;1-phenyl-4-propan-2-ylpyrazole;4-(5-propan-2-ylnaphthalen-1-yl)morpholine;1-(4-propan-2-ylnaphthalen-2-yl)piperazine;1-(5-propan-2-ylnaphthalen-2-yl)piperazine
CID 159106008

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 158204545) is 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N)nc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCC5)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5CCCCC5)c4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is GBIKXAXVDQBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2.C27H26N4O2.C25H22N4O2/c30-17-21-15-20(9-10-29(21)35-24-11-13-34-14-12-24)25-7-4-8-27-26(25)16-28(32-27)22-18-31-33(19-22)23-5-2-1-3-6-23;28-15-19-13-18(7-8-27(19)33-22-9-11-32-12-10-22)23-5-2-6-25-24(23)14-26(30-25)20-16-29-31(17-20)21-3-1-4-21;26-14-18-12-16(4-6-24(18)31-19-8-10-30-11-9-19)20-2-1-3-22-21(20)13-23(29-22)17-5-7-25(27)28-15-17/h4,7-10,15-16,18-19,23-24,32H,1-3,5-6,11-14H2;2,5-8,13-14,16-17,21-22,30H,1,3-4,9-12H2;1-7,12-13,15,19,29H,8-11H2,(H2,27,28).
What are the key properties of 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 1315.59 g/mol, XLogP of 17.39, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-amino-3-pyridinyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclobutylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-cyclohexylpyrazol-4-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 158204545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).