2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde

C21H24N4O3 — CID 118364378

IUPAC2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde
SMILESCC(C)n1nccc1C1=C(COc2ccc3cn(C)nc3c2C=O)CCOC1
InChIInChI=1S/C21H24N4O3/c1-14(2)25-19(6-8-22-25)18-13-27-9-7-16(18)12-28-20-5-4-15-10-24(3)23-21(15)17(20)11-26/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3
InChIKeyGYHGBSIXIHQDSV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.42
Rot. Bonds6

About 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde

2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde (PubChem CID 118364378) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde
PubChem CID118364378
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde
SMILESCC(C)n1nccc1C1=C(COc2ccc3cn(C)nc3c2C=O)CCOC1
InChIInChI=1S/C21H24N4O3/c1-14(2)25-19(6-8-22-25)18-13-27-9-7-16(18)12-28-20-5-4-15-10-24(3)23-21(15)17(20)11-26/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3
InChIKeyGYHGBSIXIHQDSV-UHFFFAOYSA-N
XLogP3.42
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
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 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde?
The IUPAC name of 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde (CID 118364378) is 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde.
What is the SMILES notation for 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde?
The canonical SMILES for 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde is CC(C)n1nccc1C1=C(COc2ccc3cn(C)nc3c2C=O)CCOC1.
What is the InChIKey of 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde?
The InChIKey is GYHGBSIXIHQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)25-19(6-8-22-25)18-13-27-9-7-16(18)12-28-20-5-4-15-10-24(3)23-21(15)17(20)11-26/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3.
What are the key properties of 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde?
2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde has a molecular weight of 380.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[5-(2-propan-2-ylpyrazol-3-yl)-3,6-dihydro-2H-pyran-4-yl]methoxy]indazole-7-carbaldehyde is sourced from PubChem (CID 118364378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).