2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

C63H55N9O3 — CID 134504986

IUPAC2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCN1CCCCC12CCN(C(=O)c1ccc(-c3ccc4ncc(-c5ccc(C#N)c(C6CC(O)(c7ccccc7)CCN6C(=O)c6ccc(-c7ccc8ncc(-c9ccc(C#N)cc9)n8c7)cc6)c5)n4c3)cc1)CC2
InChIInChI=1S/C63H55N9O3/c1-68-31-6-5-27-62(68)28-32-69(33-29-62)60(73)47-17-13-44(14-18-47)52-24-26-59-67-40-57(72(59)42-52)49-21-22-50(38-65)54(35-49)55-36-63(75,53-7-3-2-4-8-53)30-34-70(55)61(74)48-19-15-45(16-20-48)51-23-25-58-66-39-56(71(58)41-51)46-11-9-43(37-64)10-12-46/h2-4,7-26,35,39-42,55,75H,5-6,27-34,36H2,1H3
InChIKeyIJGRQRFRBLPLCA-UHFFFAOYSA-N
MW986.19 g/mol
LogP11.35
Rot. Bonds8

About 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile

2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (PubChem CID 134504986) has the molecular formula C63H55N9O3 and a molecular weight of 986.19 g/mol. Its IUPAC name is 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
PubChem CID134504986
Molecular FormulaC63H55N9O3
Molecular Weight986.19 g/mol
Exact Mass985.44
IUPAC Name2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
SMILESCN1CCCCC12CCN(C(=O)c1ccc(-c3ccc4ncc(-c5ccc(C#N)c(C6CC(O)(c7ccccc7)CCN6C(=O)c6ccc(-c7ccc8ncc(-c9ccc(C#N)cc9)n8c7)cc6)c5)n4c3)cc1)CC2
InChIInChI=1S/C63H55N9O3/c1-68-31-6-5-27-62(68)28-32-69(33-29-62)60(73)47-17-13-44(14-18-47)52-24-26-59-67-40-57(72(59)42-52)49-21-22-50(38-65)54(35-49)55-36-63(75,53-7-3-2-4-8-53)30-34-70(55)61(74)48-19-15-45(16-20-48)51-23-25-58-66-39-56(71(58)41-51)46-11-9-43(37-64)10-12-46/h2-4,7-26,35,39-42,55,75H,5-6,27-34,36H2,1H3
InChIKeyIJGRQRFRBLPLCA-UHFFFAOYSA-N
XLogP11.35
TPSA146.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.19
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The IUPAC name of 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile (CID 134504986) is 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The canonical SMILES for 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is CN1CCCCC12CCN(C(=O)c1ccc(-c3ccc4ncc(-c5ccc(C#N)c(C6CC(O)(c7ccccc7)CCN6C(=O)c6ccc(-c7ccc8ncc(-c9ccc(C#N)cc9)n8c7)cc6)c5)n4c3)cc1)CC2.
What is the InChIKey of 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
The InChIKey is IJGRQRFRBLPLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55N9O3/c1-68-31-6-5-27-62(68)28-32-69(33-29-62)60(73)47-17-13-44(14-18-47)52-24-26-59-67-40-57(72(59)42-52)49-21-22-50(38-65)54(35-49)55-36-63(75,53-7-3-2-4-8-53)30-34-70(55)61(74)48-19-15-45(16-20-48)51-23-25-58-66-39-56(71(58)41-51)46-11-9-43(37-64)10-12-46/h2-4,7-26,35,39-42,55,75H,5-6,27-34,36H2,1H3.
What are the key properties of 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile?
2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile has a molecular weight of 986.19 g/mol, XLogP of 11.35, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-(4-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoyl]-4-hydroxy-4-phenylpiperidin-2-yl]-4-[6-[4-(1-methyl-1,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 134504986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).