3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C19H20N4O — CID 167919790

IUPAC3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(Cc1ccc(O)cc1)N(C)Cc1cnc2ccc(C#N)cn12
InChIInChI=1S/C19H20N4O/c1-14(9-15-3-6-18(24)7-4-15)22(2)13-17-11-21-19-8-5-16(10-20)12-23(17)19/h3-8,11-12,14,24H,9,13H2,1-2H3
InChIKeyADPVZBPJKMBFLF-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.97
Rot. Bonds5

About 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 167919790) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID167919790
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCC(Cc1ccc(O)cc1)N(C)Cc1cnc2ccc(C#N)cn12
InChIInChI=1S/C19H20N4O/c1-14(9-15-3-6-18(24)7-4-15)22(2)13-17-11-21-19-8-5-16(10-20)12-23(17)19/h3-8,11-12,14,24H,9,13H2,1-2H3
InChIKeyADPVZBPJKMBFLF-UHFFFAOYSA-N
XLogP2.97
TPSA64.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 167919790) is 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is CC(Cc1ccc(O)cc1)N(C)Cc1cnc2ccc(C#N)cn12.
What is the InChIKey of 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is ADPVZBPJKMBFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(9-15-3-6-18(24)7-4-15)22(2)13-17-11-21-19-8-5-16(10-20)12-23(17)19/h3-8,11-12,14,24H,9,13H2,1-2H3.
What are the key properties of 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-hydroxyphenyl)propan-2-yl-methylamino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 167919790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).