2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C28H23F3N6O3 — CID 87551362

IUPAC2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCc1ccn2nc(C)c(C=O)c2c1.Cc1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H10N2O.C9H5F3N2O.C9H8N2O/c1-7-3-4-12-10(5-7)9(6-13)8(2)11-12;10-9(11,12)7-1-2-14-8(3-7)6(5-15)4-13-14;1-7-2-3-11-9(4-7)8(6-12)5-10-11/h3-6H,1-2H3;1-5H;2-6H,1H3
InChIKeyNRSYBKFZEXKZGT-UHFFFAOYSA-N
MW548.53 g/mol
LogP5.38
Rot. Bonds3

About 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 87551362) has the molecular formula C28H23F3N6O3 and a molecular weight of 548.53 g/mol. Its IUPAC name is 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID87551362
Molecular FormulaC28H23F3N6O3
Molecular Weight548.53 g/mol
Exact Mass548.18
IUPAC Name2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCc1ccn2nc(C)c(C=O)c2c1.Cc1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H10N2O.C9H5F3N2O.C9H8N2O/c1-7-3-4-12-10(5-7)9(6-13)8(2)11-12;10-9(11,12)7-1-2-14-8(3-7)6(5-15)4-13-14;1-7-2-3-11-9(4-7)8(6-12)5-10-11/h3-6H,1-2H3;1-5H;2-6H,1H3
InChIKeyNRSYBKFZEXKZGT-UHFFFAOYSA-N
XLogP5.38
TPSA103.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.53
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde with MolForge

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Related Compounds

2-methyl-3-(3-methyl-1,2-dihydrotriazol-5-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 168979522
3-formylpyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 59476245
[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methanol
CID 59476264
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
N-(3-formylpyrazolo[1,5-a]pyridin-5-yl)acetamide
CID 89029718
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188587
3-ethyl-5-methylpyrazolo[1,5-a]pyridine
CID 169164413
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 87551362) is 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is Cc1ccn2nc(C)c(C=O)c2c1.Cc1ccn2ncc(C=O)c2c1.O=Cc1cnn2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is NRSYBKFZEXKZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C9H5F3N2O.C9H8N2O/c1-7-3-4-12-10(5-7)9(6-13)8(2)11-12;10-9(11,12)7-1-2-14-8(3-7)6(5-15)4-13-14;1-7-2-3-11-9(4-7)8(6-12)5-10-11/h3-6H,1-2H3;1-5H;2-6H,1H3.
What are the key properties of 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 548.53 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-methylpyrazolo[1,5-a]pyridine-3-carbaldehyde;5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 87551362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).