6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde

C19H18N6O2 — CID 136981032

IUPAC6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde
SMILESCC(C)n1nccc1-c1nccnc1COc1ccc2c[nH]nc2c1C=O
InChIInChI=1S/C19H18N6O2/c1-12(2)25-16(5-6-23-25)19-15(20-7-8-21-19)11-27-17-4-3-13-9-22-24-18(13)14(17)10-26/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyNMCMQZQODAHPPH-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.19
Rot. Bonds6

About 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde

6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde (PubChem CID 136981032) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde.

Molecular Properties

Compound Name6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde
PubChem CID136981032
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde
SMILESCC(C)n1nccc1-c1nccnc1COc1ccc2c[nH]nc2c1C=O
InChIInChI=1S/C19H18N6O2/c1-12(2)25-16(5-6-23-25)19-15(20-7-8-21-19)11-27-17-4-3-13-9-22-24-18(13)14(17)10-26/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyNMCMQZQODAHPPH-UHFFFAOYSA-N
XLogP3.19
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde?
The IUPAC name of 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde (CID 136981032) is 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde.
What is the SMILES notation for 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde?
The canonical SMILES for 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde is CC(C)n1nccc1-c1nccnc1COc1ccc2c[nH]nc2c1C=O.
What is the InChIKey of 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde?
The InChIKey is NMCMQZQODAHPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(2)25-16(5-6-23-25)19-15(20-7-8-21-19)11-27-17-4-3-13-9-22-24-18(13)14(17)10-26/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde?
6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde has a molecular weight of 362.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methoxy]-2H-indazole-7-carbaldehyde is sourced from PubChem (CID 136981032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).