7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde

C21H25FN4O2 — CID 174662602

IUPAC7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(CC(=O)c3ccc(F)cc3)nc2N1C(C)C
InChIInChI=1S/C21H25FN4O2/c1-5-16-18(12-27)25(4)17-11-23-20(24-21(17)26(16)13(2)3)10-19(28)14-6-8-15(22)9-7-14/h6-9,11-13,16,18H,5,10H2,1-4H3
InChIKeyNVXJXSIBCQPWIL-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.05
Rot. Bonds6

About 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde

7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde (PubChem CID 174662602) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
PubChem CID174662602
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
SMILESCCC1C(C=O)N(C)c2cnc(CC(=O)c3ccc(F)cc3)nc2N1C(C)C
InChIInChI=1S/C21H25FN4O2/c1-5-16-18(12-27)25(4)17-11-23-20(24-21(17)26(16)13(2)3)10-19(28)14-6-8-15(22)9-7-14/h6-9,11-13,16,18H,5,10H2,1-4H3
InChIKeyNVXJXSIBCQPWIL-UHFFFAOYSA-N
XLogP3.05
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-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

2-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-1-(4-fluorophenyl)ethanone
CID 66979195
2-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-(4-fluorophenyl)-3-oxopropanal
CID 76778028
2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone
CID 123157976
7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848
7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1H-pyrazol-5-yl)-6,7-dihydropteridine-6-carbaldehyde
CID 174662633
(6aR)-2-[2-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]ethyl]-5-(2-methoxyethyl)-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 169428050
2-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 67261109
2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
CID 58405852
5-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67252236
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
7-methyl-2-(2-propan-2-ylphenyl)-8,9-dihydropurine-8-carbaldehyde
CID 174913402
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 175275366

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The IUPAC name of 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde (CID 174662602) is 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde is CCC1C(C=O)N(C)c2cnc(CC(=O)c3ccc(F)cc3)nc2N1C(C)C.
What is the InChIKey of 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
The InChIKey is NVXJXSIBCQPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-5-16-18(12-27)25(4)17-11-23-20(24-21(17)26(16)13(2)3)10-19(28)14-6-8-15(22)9-7-14/h6-9,11-13,16,18H,5,10H2,1-4H3.
What are the key properties of 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde?
7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde has a molecular weight of 384.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 174662602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).