4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine

C19H22N4O — CID 71448629

IUPAC4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCC(C)c1cccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-13(2)14-4-3-5-15(12-14)18-21-16-6-7-20-19(17(16)22-18)23-8-10-24-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyTVKLYBBBOQUHDN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds3

About 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine

4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (PubChem CID 71448629) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
PubChem CID71448629
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
SMILESCC(C)c1cccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)c1
InChIInChI=1S/C19H22N4O/c1-13(2)14-4-3-5-15(12-14)18-21-16-6-7-20-19(17(16)22-18)23-8-10-24-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyTVKLYBBBOQUHDN-UHFFFAOYSA-N
XLogP3.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine (CID 71448629) is 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is CC(C)c1cccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)c1.
What is the InChIKey of 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
The InChIKey is TVKLYBBBOQUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)14-4-3-5-15(12-14)18-21-16-6-7-20-19(17(16)22-18)23-8-10-24-11-9-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine?
4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-propan-2-ylphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 71448629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).