5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one

C21H23FN6O — CID 158596474

IUPAC5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C)c2nc(CCc3cnn(Cc4ccc(F)cc4)c3)ncc21
InChIInChI=1S/C21H23FN6O/c1-3-28-18-11-23-19(25-21(18)26(2)14-20(28)29)9-6-16-10-24-27(13-16)12-15-4-7-17(22)8-5-15/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3
InChIKeyHVCBNGNWNHANSG-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.45
Rot. Bonds6

About 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one

5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one (PubChem CID 158596474) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one
PubChem CID158596474
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one
SMILESCCN1C(=O)CN(C)c2nc(CCc3cnn(Cc4ccc(F)cc4)c3)ncc21
InChIInChI=1S/C21H23FN6O/c1-3-28-18-11-23-19(25-21(18)26(2)14-20(28)29)9-6-16-10-24-27(13-16)12-15-4-7-17(22)8-5-15/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3
InChIKeyHVCBNGNWNHANSG-UHFFFAOYSA-N
XLogP2.45
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one 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

(7S)-8-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-5,7-dimethyl-7H-pteridin-6-one
CID 159750369
(7S)-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-5,8-dimethyl-7-propyl-7H-pteridin-6-one
CID 161498085
(6aR)-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-6a-methyl-5,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one;methane
CID 167598224
(7S)-7,8-diethyl-5-methyl-2-[2-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]ethyl]-7H-pteridin-6-one
CID 159294376
4-(3-chloropropyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 63278715
(6aS)-2-[2-(1-benzylpyrazol-4-yl)ethyl]-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one;methane
CID 167615061
4,8-dimethyl-2-[2-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]ethyl]-5,7-dihydropteridin-6-one
CID 159957691
5,8-dimethyl-2-[[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methylamino]-7H-pteridin-6-one;propane
CID 153355462
(7S)-7-ethyl-5-methyl-8-(2,2,2-trifluoroethyl)-2-[2-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]ethyl]-7H-pteridin-6-one
CID 161455181
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
7-ethyl-5-(2-fluoroethyl)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]-8-methyl-7H-pteridin-6-one
CID 146203269
N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63278795

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one?
The IUPAC name of 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one (CID 158596474) is 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one.
What is the SMILES notation for 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one?
The canonical SMILES for 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one is CCN1C(=O)CN(C)c2nc(CCc3cnn(Cc4ccc(F)cc4)c3)ncc21.
What is the InChIKey of 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one?
The InChIKey is HVCBNGNWNHANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-3-28-18-11-23-19(25-21(18)26(2)14-20(28)29)9-6-16-10-24-27(13-16)12-15-4-7-17(22)8-5-15/h4-5,7-8,10-11,13H,3,6,9,12,14H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one?
5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one has a molecular weight of 394.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]ethyl]-8-methyl-7H-pteridin-6-one is sourced from PubChem (CID 158596474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).