3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile

C22H21N5O2 — CID 175448444

IUPAC3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCc1c(C(O)c2ccccc2-c2ccn(C)n2)nc2cc(OC)c(C#N)cn12
InChIInChI=1S/C22H21N5O2/c1-4-18-21(24-20-11-19(29-3)14(12-23)13-27(18)20)22(28)16-8-6-5-7-15(16)17-9-10-26(2)25-17/h5-11,13,22,28H,4H2,1-3H3
InChIKeyKFFASANWGAIXRX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.26
Rot. Bonds5

About 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile

3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 175448444) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID175448444
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCCc1c(C(O)c2ccccc2-c2ccn(C)n2)nc2cc(OC)c(C#N)cn12
InChIInChI=1S/C22H21N5O2/c1-4-18-21(24-20-11-19(29-3)14(12-23)13-27(18)20)22(28)16-8-6-5-7-15(16)17-9-10-26(2)25-17/h5-11,13,22,28H,4H2,1-3H3
InChIKeyKFFASANWGAIXRX-UHFFFAOYSA-N
XLogP3.26
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile (CID 175448444) is 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile is CCc1c(C(O)c2ccccc2-c2ccn(C)n2)nc2cc(OC)c(C#N)cn12.
What is the InChIKey of 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is KFFASANWGAIXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-4-18-21(24-20-11-19(29-3)14(12-23)13-27(18)20)22(28)16-8-6-5-7-15(16)17-9-10-26(2)25-17/h5-11,13,22,28H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy-[2-(1-methylpyrazol-3-yl)phenyl]methyl]-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 175448444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).