5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde

C18H22N4O2 — CID 163798812

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde
SMILESCCOc1ncccc1-c1cc(C=O)c2c(n1)C(C)NN2C(C)C
InChIInChI=1S/C18H22N4O2/c1-5-24-18-14(7-6-8-19-18)15-9-13(10-23)17-16(20-15)12(4)21-22(17)11(2)3/h6-12,21H,5H2,1-4H3
InChIKeyNDEGXVBUEOLZBJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.15
Rot. Bonds5

About 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde

5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde (PubChem CID 163798812) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde
PubChem CID163798812
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde
SMILESCCOc1ncccc1-c1cc(C=O)c2c(n1)C(C)NN2C(C)C
InChIInChI=1S/C18H22N4O2/c1-5-24-18-14(7-6-8-19-18)15-9-13(10-23)17-16(20-15)12(4)21-22(17)11(2)3/h6-12,21H,5H2,1-4H3
InChIKeyNDEGXVBUEOLZBJ-UHFFFAOYSA-N
XLogP3.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.15
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 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde (CID 163798812) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde is CCOc1ncccc1-c1cc(C=O)c2c(n1)C(C)NN2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde?
The InChIKey is NDEGXVBUEOLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-5-24-18-14(7-6-8-19-18)15-9-13(10-23)17-16(20-15)12(4)21-22(17)11(2)3/h6-12,21H,5H2,1-4H3.
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde?
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde has a molecular weight of 326.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-2,3-dihydropyrazolo[4,3-b]pyridine-7-carbaldehyde is sourced from PubChem (CID 163798812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).