2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde

C30H31N7O3 — CID 129254370

IUPAC2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccnc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C30H31N7O3/c1-20(2)36-25(9-15-34-36)28-22(7-5-12-31-28)18-39-27-11-14-33-30(24(27)17-38)40-19-23-8-6-13-32-29(23)26-10-16-35-37(26)21(3)4/h5-17,20-21H,18-19H2,1-4H3
InChIKeyCLIJWQVMBWBALX-UHFFFAOYSA-N
MW537.62 g/mol
LogP5.73
Rot. Bonds11

About 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde

2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde (PubChem CID 129254370) has the molecular formula C30H31N7O3 and a molecular weight of 537.62 g/mol. Its IUPAC name is 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
PubChem CID129254370
Molecular FormulaC30H31N7O3
Molecular Weight537.62 g/mol
Exact Mass537.25
IUPAC Name2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
SMILESCC(C)n1nccc1-c1ncccc1COc1ccnc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C30H31N7O3/c1-20(2)36-25(9-15-34-36)28-22(7-5-12-31-28)18-39-27-11-14-33-30(24(27)17-38)40-19-23-8-6-13-32-29(23)26-10-16-35-37(26)21(3)4/h5-17,20-21H,18-19H2,1-4H3
InChIKeyCLIJWQVMBWBALX-UHFFFAOYSA-N
XLogP5.73
TPSA109.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471436
5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
CID 91885561
tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
2-(2-methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzamide
CID 130308299
3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 162441271

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde (CID 129254370) is 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde is CC(C)n1nccc1-c1ncccc1COc1ccnc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde?
The InChIKey is CLIJWQVMBWBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3/c1-20(2)36-25(9-15-34-36)28-22(7-5-12-31-28)18-39-27-11-14-33-30(24(27)17-38)40-19-23-8-6-13-32-29(23)26-10-16-35-37(26)21(3)4/h5-17,20-21H,18-19H2,1-4H3.
What are the key properties of 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde?
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde has a molecular weight of 537.62 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 129254370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).