4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine

C23H23N5O — CID 146315950

IUPAC4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H23N5O/c1-17-25-22-7-6-21(19-8-10-24-11-9-19)26-23(22)28(17)20-4-2-18(3-5-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3
InChIKeyRLTYXXJJSUBYTN-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.62
Rot. Bonds4

About 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine

4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine (PubChem CID 146315950) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
PubChem CID146315950
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine
SMILESCc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H23N5O/c1-17-25-22-7-6-21(19-8-10-24-11-9-19)26-23(22)28(17)20-4-2-18(3-5-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3
InChIKeyRLTYXXJJSUBYTN-UHFFFAOYSA-N
XLogP3.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine (CID 146315950) is 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine is Cc1nc2ccc(-c3ccncc3)nc2n1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine?
The InChIKey is RLTYXXJJSUBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-25-22-7-6-21(19-8-10-24-11-9-19)26-23(22)28(17)20-4-2-18(3-5-20)16-27-12-14-29-15-13-27/h2-11H,12-16H2,1H3.
What are the key properties of 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine?
4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine has a molecular weight of 385.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 146315950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).