2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

C29H27N5O — CID 90368167

IUPAC2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cc2-c2cccnc2)cc1
InChIInChI=1S/C29H27N5O/c1-2-5-20(6-3-1)19-35-27-9-8-22(15-25(27)23-7-4-12-31-17-23)28-33-26-16-24(18-32-29(26)34-28)21-10-13-30-14-11-21/h1-9,12,15-18,21,30H,10-11,13-14,19H2,(H,32,33,34)
InChIKeyLUHCBGHKQHRSPM-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.73
Rot. Bonds6

About 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine

2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 90368167) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
PubChem CID90368167
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC Name2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(COc2ccc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cc2-c2cccnc2)cc1
InChIInChI=1S/C29H27N5O/c1-2-5-20(6-3-1)19-35-27-9-8-22(15-25(27)23-7-4-12-31-17-23)28-33-26-16-24(18-32-29(26)34-28)21-10-13-30-14-11-21/h1-9,12,15-18,21,30H,10-11,13-14,19H2,(H,32,33,34)
InChIKeyLUHCBGHKQHRSPM-UHFFFAOYSA-N
XLogP5.73
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine (CID 90368167) is 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is c1ccc(COc2ccc(-c3nc4ncc(C5CCNCC5)cc4[nH]3)cc2-c2cccnc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LUHCBGHKQHRSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-2-5-20(6-3-1)19-35-27-9-8-22(15-25(27)23-7-4-12-31-17-23)28-33-26-16-24(18-32-29(26)34-28)21-10-13-30-14-11-21/h1-9,12,15-18,21,30H,10-11,13-14,19H2,(H,32,33,34).
What are the key properties of 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine?
2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 461.57 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxy-3-pyridin-3-ylphenyl)-6-piperidin-4-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).