7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde

C22H21FN8O — CID 174662633

IUPAC7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn[nH]1
InChIInChI=1S/C22H21FN8O/c1-3-16-18(13-32)29(2)17-12-25-22(27-21(17)31(16)19-8-9-26-28-19)30-11-10-24-20(30)14-4-6-15(23)7-5-14/h4-13,16,18H,3H2,1-2H3,(H,26,28)
InChIKeyAMNXKXYQLIFEFE-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.13
Rot. Bonds5

About 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde

7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174662633) has the molecular formula C22H21FN8O and a molecular weight of 432.46 g/mol. Its IUPAC name is 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174662633
Molecular FormulaC22H21FN8O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn[nH]1
InChIInChI=1S/C22H21FN8O/c1-3-16-18(13-32)29(2)17-12-25-22(27-21(17)31(16)19-8-9-26-28-19)30-11-10-24-20(30)14-4-6-15(23)7-5-14/h4-13,16,18H,3H2,1-2H3,(H,26,28)
InChIKeyAMNXKXYQLIFEFE-UHFFFAOYSA-N
XLogP3.13
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-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

4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1H-pyrazol-5-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67122043
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(4-methylphenyl)-7H-pteridin-6-one
CID 163636551
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-phenyl-7H-pteridin-6-one
CID 58405510
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
CID 53261787
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-5-(2-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979989
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-5-(1-methylpyrazol-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499320
4-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979514
8-(3,3-difluorocyclopentyl)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 71602777
3-[4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]benzonitrile
CID 66979737
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499259
5-(cyclopropylmethyl)-4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979445
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde (CID 174662633) is 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccn[nH]1.
What is the InChIKey of 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is AMNXKXYQLIFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O/c1-3-16-18(13-32)29(2)17-12-25-22(27-21(17)31(16)19-8-9-26-28-19)30-11-10-24-20(30)14-4-6-15(23)7-5-14/h4-13,16,18H,3H2,1-2H3,(H,26,28).
What are the key properties of 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde?
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 432.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174662633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).