2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C16H14N4O3 — CID 71621761

IUPAC2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccn[nH]2)cn1
InChIInChI=1S/C16H14N4O3/c1-22-15-7-12(9-21)14(8-18-15)23-10-11-3-2-5-17-16(11)13-4-6-19-20-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyREUKYGSZQRYKGY-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.27
Rot. Bonds6

About 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 71621761) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID71621761
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1cc(C=O)c(OCc2cccnc2-c2ccn[nH]2)cn1
InChIInChI=1S/C16H14N4O3/c1-22-15-7-12(9-21)14(8-18-15)23-10-11-3-2-5-17-16(11)13-4-6-19-20-13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyREUKYGSZQRYKGY-UHFFFAOYSA-N
XLogP2.27
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.27
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-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 71621761) is 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is COc1cc(C=O)c(OCc2cccnc2-c2ccn[nH]2)cn1.
What is the InChIKey of 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is REUKYGSZQRYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-15-7-12(9-21)14(8-18-15)23-10-11-3-2-5-17-16(11)13-4-6-19-20-13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 310.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 71621761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).