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

C27H25N5O — CID 25211717

IUPAC2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCOc1ncccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1
InChIInChI=1S/C27H25N5O/c1-33-27-23(7-4-13-30-27)25-31-24-22(20-9-8-18-5-2-3-6-19(18)17-20)12-16-29-26(24)32(25)21-10-14-28-15-11-21/h2-9,12-13,16-17,21,28H,10-11,14-15H2,1H3
InChIKeyRNZJAPCCLUQNPZ-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.25
Rot. Bonds4

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

2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 25211717) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID25211717
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCOc1ncccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1
InChIInChI=1S/C27H25N5O/c1-33-27-23(7-4-13-30-27)25-31-24-22(20-9-8-18-5-2-3-6-19(18)17-20)12-16-29-26(24)32(25)21-10-14-28-15-11-21/h2-9,12-13,16-17,21,28H,10-11,14-15H2,1H3
InChIKeyRNZJAPCCLUQNPZ-UHFFFAOYSA-N
XLogP5.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine (CID 25211717) is 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is COc1ncccc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is RNZJAPCCLUQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-33-27-23(7-4-13-30-27)25-31-24-22(20-9-8-18-5-2-3-6-19(18)17-20)12-16-29-26(24)32(25)21-10-14-28-15-11-21/h2-9,12-13,16-17,21,28H,10-11,14-15H2,1H3.
What are the key properties of 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine?
2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 435.53 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-7-naphthalen-2-yl-3-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 25211717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).