2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde

C19H20N4O2S — CID 123275622

IUPAC2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde
SMILESCC1CN(c2ncc(-c3ccc(-c4ccn[nH]4)s3)cc2C=O)CC(C)O1
InChIInChI=1S/C19H20N4O2S/c1-12-9-23(10-13(2)25-12)19-15(11-24)7-14(8-20-19)17-3-4-18(26-17)16-5-6-21-22-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,22)
InChIKeyDCLSGCQIOAJXPM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.63
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde

2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde (PubChem CID 123275622) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde
PubChem CID123275622
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde
SMILESCC1CN(c2ncc(-c3ccc(-c4ccn[nH]4)s3)cc2C=O)CC(C)O1
InChIInChI=1S/C19H20N4O2S/c1-12-9-23(10-13(2)25-12)19-15(11-24)7-14(8-20-19)17-3-4-18(26-17)16-5-6-21-22-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,22)
InChIKeyDCLSGCQIOAJXPM-UHFFFAOYSA-N
XLogP3.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde (CID 123275622) is 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde is CC1CN(c2ncc(-c3ccc(-c4ccn[nH]4)s3)cc2C=O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde?
The InChIKey is DCLSGCQIOAJXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-9-23(10-13(2)25-12)19-15(11-24)7-14(8-20-19)17-3-4-18(26-17)16-5-6-21-22-16/h3-8,11-13H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde?
2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde has a molecular weight of 368.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-5-[5-(1H-pyrazol-5-yl)thiophen-2-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 123275622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).