6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C36H34N8O — CID 171495355

IUPAC6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCN1c2cc(-c3ccccc3)cnc2N(c2ccc(CN3CCC(Oc4ccc(C#N)cn4)CC3)cc2)C1c1cccnc1N
InChIInChI=1S/C36H34N8O/c1-42-32-20-28(27-6-3-2-4-7-27)23-41-35(32)44(36(42)31-8-5-17-39-34(31)38)29-12-9-25(10-13-29)24-43-18-15-30(16-19-43)45-33-14-11-26(21-37)22-40-33/h2-14,17,20,22-23,30,36H,15-16,18-19,24H2,1H3,(H2,38,39)
InChIKeyWFOXNBJSZPANEE-UHFFFAOYSA-N
MW594.72 g/mol
LogP6.32
Rot. Bonds7

About 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 171495355) has the molecular formula C36H34N8O and a molecular weight of 594.72 g/mol. Its IUPAC name is 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID171495355
Molecular FormulaC36H34N8O
Molecular Weight594.72 g/mol
Exact Mass594.29
IUPAC Name6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESCN1c2cc(-c3ccccc3)cnc2N(c2ccc(CN3CCC(Oc4ccc(C#N)cn4)CC3)cc2)C1c1cccnc1N
InChIInChI=1S/C36H34N8O/c1-42-32-20-28(27-6-3-2-4-7-27)23-41-35(32)44(36(42)31-8-5-17-39-34(31)38)29-12-9-25(10-13-29)24-43-18-15-30(16-19-43)45-33-14-11-26(21-37)22-40-33/h2-14,17,20,22-23,30,36H,15-16,18-19,24H2,1H3,(H2,38,39)
InChIKeyWFOXNBJSZPANEE-UHFFFAOYSA-N
XLogP6.32
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile with MolForge

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Related Compounds

N,N-dimethyl-3-[[5-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-5-yl]-2-pyridinyl]oxy]propan-1-amine
CID 172210490
4-[8-[4-(Dimethylamino)piperidin-1-yl]-5-(6-ethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 118647543
US9944647, Example 117
CID 122584146
US10023570, Example 669
CID 126740147
US10023570, Example 668
CID 126740483
US11168090, Example 99
CID 135241350
US11168090, Example 98
CID 135242009
US11168090, Example 100
CID 135253370
US20240025922, Example 47
CID 170324593
US9981944, Example 38
CID 122478529
1-[[6-(4-Benzylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 46240776
1-[3-(4-Fluorophenoxy)propyl]-3-[[6-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]methyl]benzimidazol-2-imine
CID 46240879

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 171495355) is 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile is CN1c2cc(-c3ccccc3)cnc2N(c2ccc(CN3CCC(Oc4ccc(C#N)cn4)CC3)cc2)C1c1cccnc1N.
What is the InChIKey of 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is WFOXNBJSZPANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N8O/c1-42-32-20-28(27-6-3-2-4-7-27)23-41-35(32)44(36(42)31-8-5-17-39-34(31)38)29-12-9-25(10-13-29)24-43-18-15-30(16-19-43)45-33-14-11-26(21-37)22-40-33/h2-14,17,20,22-23,30,36H,15-16,18-19,24H2,1H3,(H2,38,39).
What are the key properties of 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 594.72 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-[2-(2-amino-3-pyridinyl)-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 171495355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).