3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde

C28H18N4O — CID 10836179

IUPAC3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2nc3ncccc3cc2-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C28H18N4O/c33-18-24-17-32(31-26(24)22-13-12-19-7-4-5-10-21(19)15-22)28-25(20-8-2-1-3-9-20)16-23-11-6-14-29-27(23)30-28/h1-18H
InChIKeyPHCYPAPSTIWZEU-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.12
Rot. Bonds4

About 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde

3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde (PubChem CID 10836179) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde
PubChem CID10836179
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2nc3ncccc3cc2-c2ccccc2)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C28H18N4O/c33-18-24-17-32(31-26(24)22-13-12-19-7-4-5-10-21(19)15-22)28-25(20-8-2-1-3-9-20)16-23-11-6-14-29-27(23)30-28/h1-18H
InChIKeyPHCYPAPSTIWZEU-UHFFFAOYSA-N
XLogP6.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1,8-naphthyridine-3-carbonyl)-3-naphthalen-2-ylpyrazole-4-carbaldehyde
CID 10475611
2-naphthalen-2-yl-4-phenylbenzaldehyde
CID 152589859
3-(3-methoxyphenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 43531826
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
1-phenyl-3-pyridin-2-ylpyrazole-4-carbaldehyde
CID 2316430
3-(2-iodophenyl)-1-pyrimidin-2-ylpyrazole-4-carbaldehyde
CID 63163055
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
3-(4-formyl-1-phenylpyrazol-3-yl)benzonitrile
CID 63990735
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
4-[4-[(E)-hydrazinylidenemethyl]-3-naphthalen-2-ylpyrazol-1-yl]benzoic acid
CID 177464777
5-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methylidene]-2-pyridin-3-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4502724
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
CID 65347838

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde (CID 10836179) is 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde is O=Cc1cn(-c2nc3ncccc3cc2-c2ccccc2)nc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is PHCYPAPSTIWZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c33-18-24-17-32(31-26(24)22-13-12-19-7-4-5-10-21(19)15-22)28-25(20-8-2-1-3-9-20)16-23-11-6-14-29-27(23)30-28/h1-18H.
What are the key properties of 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde?
3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 426.48 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-(3-phenyl-1,8-naphthyridin-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 10836179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).