7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

C21H24N6O — CID 70685226

IUPAC7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCNc1c(C#N)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12
InChIInChI=1S/C21H24N6O/c1-23-18-16(13-22)14-24-21-19(18)25-20(26-21)15-5-7-17(8-6-15)28-12-11-27-9-3-2-4-10-27/h5-8,14H,2-4,9-12H2,1H3,(H2,23,24,25,26)
InChIKeyXTLQSYDWFZFRGT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.40
Rot. Bonds6

About 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile

7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (PubChem CID 70685226) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
PubChem CID70685226
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
SMILESCNc1c(C#N)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12
InChIInChI=1S/C21H24N6O/c1-23-18-16(13-22)14-24-21-19(18)25-20(26-21)15-5-7-17(8-6-15)28-12-11-27-9-3-2-4-10-27/h5-8,14H,2-4,9-12H2,1H3,(H2,23,24,25,26)
InChIKeyXTLQSYDWFZFRGT-UHFFFAOYSA-N
XLogP3.40
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile (CID 70685226) is 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is CNc1c(C#N)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12.
What is the InChIKey of 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is XTLQSYDWFZFRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-23-18-16(13-22)14-24-21-19(18)25-20(26-21)15-5-7-17(8-6-15)28-12-11-27-9-3-2-4-10-27/h5-8,14H,2-4,9-12H2,1H3,(H2,23,24,25,26).
What are the key properties of 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile?
7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 376.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 70685226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).