2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

C28H26N4 — CID 57425309

IUPAC2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C28H26N4/c1-19-5-4-8-23(17-19)27-31-26-25(22-10-9-20-6-2-3-7-21(20)18-22)13-16-30-28(26)32(27)24-11-14-29-15-12-24/h2-10,13,16-18,24,29H,11-12,14-15H2,1H3
InChIKeyOHPSEVFGDAWKEY-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.15
Rot. Bonds3

About 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine

2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 57425309) has the molecular formula C28H26N4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID57425309
Molecular FormulaC28H26N4
Molecular Weight418.54 g/mol
Exact Mass418.22
IUPAC Name2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1
InChIInChI=1S/C28H26N4/c1-19-5-4-8-23(17-19)27-31-26-25(22-10-9-20-6-2-3-7-21(20)18-22)13-16-30-28(26)32(27)24-11-14-29-15-12-24/h2-10,13,16-18,24,29H,11-12,14-15H2,1H3
InChIKeyOHPSEVFGDAWKEY-UHFFFAOYSA-N
XLogP6.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1530
Miransertib
CID 53262401
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CID 10297043
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
L-790070
CID 9806182
Kira6
CID 73425700
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
FK-739 free acid
CID 9801627
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 57425309) is 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is Cc1cccc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is OHPSEVFGDAWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4/c1-19-5-4-8-23(17-19)27-31-26-25(22-10-9-20-6-2-3-7-21(20)18-22)13-16-30-28(26)32(27)24-11-14-29-15-12-24/h2-10,13,16-18,24,29H,11-12,14-15H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 418.54 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 57425309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).