5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde

C19H16FN5O2 — CID 23381183

IUPAC5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde
SMILESCN(C)c1ncnc2c1c(-c1ccc(C=O)o1)nn2Cc1ccccc1F
InChIInChI=1S/C19H16FN5O2/c1-24(2)18-16-17(15-8-7-13(10-26)27-15)23-25(19(16)22-11-21-18)9-12-5-3-4-6-14(12)20/h3-8,10-11H,9H2,1-2H3
InChIKeyVJIKNKBZPACNKM-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.15
Rot. Bonds5

About 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde

5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde (PubChem CID 23381183) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde
PubChem CID23381183
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde
SMILESCN(C)c1ncnc2c1c(-c1ccc(C=O)o1)nn2Cc1ccccc1F
InChIInChI=1S/C19H16FN5O2/c1-24(2)18-16-17(15-8-7-13(10-26)27-15)23-25(19(16)22-11-21-18)9-12-5-3-4-6-14(12)20/h3-8,10-11H,9H2,1-2H3
InChIKeyVJIKNKBZPACNKM-UHFFFAOYSA-N
XLogP3.15
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
1-[(3-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015532
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
{4-[2-(3-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 1434724
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146
6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine
CID 11952560

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde (CID 23381183) is 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde is CN(C)c1ncnc2c1c(-c1ccc(C=O)o1)nn2Cc1ccccc1F.
What is the InChIKey of 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde?
The InChIKey is VJIKNKBZPACNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-24(2)18-16-17(15-8-7-13(10-26)27-15)23-25(19(16)22-11-21-18)9-12-5-3-4-6-14(12)20/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde?
5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde has a molecular weight of 365.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 23381183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).