(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

C23H24FN5O2 — CID 158388554

IUPAC(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(CCc2ccc(OCc3ccc(F)cc3)cn2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C23H24FN5O2/c1-14-21-22(29(3)15(2)23(30)28-21)27-20(26-14)11-9-18-8-10-19(12-25-18)31-13-16-4-6-17(24)7-5-16/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,28,30)/t15-/m0/s1
InChIKeyGWQVFJHXXAVUST-HNNXBMFYSA-N
MW421.48 g/mol
LogP3.46
Rot. Bonds6

About (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 158388554) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
PubChem CID158388554
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(CCc2ccc(OCc3ccc(F)cc3)cn2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C23H24FN5O2/c1-14-21-22(29(3)15(2)23(30)28-21)27-20(26-14)11-9-18-8-10-19(12-25-18)31-13-16-4-6-17(24)7-5-16/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,28,30)/t15-/m0/s1
InChIKeyGWQVFJHXXAVUST-HNNXBMFYSA-N
XLogP3.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-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

Tak-915
CID 72190879
Inixaciclib
CID 139390026
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
6-[2-[4-(2-methylquinazolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10341129
3-Amino-5-(6-(2-((1-isobutylpiperidin-2-yl)methylamino)-6-(trifluoromethyl)pyridin-3-yl)pyrimidin-4-yloxy)quinoxalin-2(1H)-one
CID 24858020
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 158388554) is (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1nc(CCc2ccc(OCc3ccc(F)cc3)cn2)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The InChIKey is GWQVFJHXXAVUST-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-14-21-22(29(3)15(2)23(30)28-21)27-20(26-14)11-9-18-8-10-19(12-25-18)31-13-16-4-6-17(24)7-5-16/h4-8,10,12,15H,9,11,13H2,1-3H3,(H,28,30)/t15-/m0/s1.
What are the key properties of (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
(7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 421.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[2-[5-[(4-fluorophenyl)methoxy]-2-pyridinyl]ethyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 158388554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).