6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C23H24FN5O3 — CID 153382077

IUPAC6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1CCC(c2nc3cnc(-c4cc(F)c5nc(C)oc5c4)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H24FN5O3/c1-13-26-21-17(24)9-15(10-20(21)32-13)18-11-16-19(12-25-18)27-22(28-23(16)30)14-3-5-29(6-4-14)7-8-31-2/h9-12,14H,3-8H2,1-2H3,(H,27,28,30)
InChIKeySYOKZVNFBYWQKP-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.40
Rot. Bonds5

About 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 153382077) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID153382077
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1CCC(c2nc3cnc(-c4cc(F)c5nc(C)oc5c4)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C23H24FN5O3/c1-13-26-21-17(24)9-15(10-20(21)32-13)18-11-16-19(12-25-18)27-22(28-23(16)30)14-3-5-29(6-4-14)7-8-31-2/h9-12,14H,3-8H2,1-2H3,(H,27,28,30)
InChIKeySYOKZVNFBYWQKP-UHFFFAOYSA-N
XLogP3.40
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-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

2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 153382174
6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one;6-chloro-2-piperidin-4-yl-3H-pyrido[3,4-d]pyrimidin-4-one;1-chloropropane;deuterio(fluoro)methane
CID 167574262
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
7-bromo-2-(1-ethylpiperidin-4-yl)-8-fluoro-6-iodo-3H-quinazolin-4-one
CID 155244550
N-methyl-5-[3-[4-(4-oxo-3H-quinazolin-2-yl)piperidin-1-yl]propoxy]pyridine-2-carboxamide
CID 169149219
(5R)-3-[5-[1-(2-methoxyethyl)piperidin-4-yl]pyrazin-2-yl]-5-methyl-1,3-oxazolidin-2-one
CID 124972119
2-[1-[2-(5-chloro-2H-indazol-3-yl)ethyl]piperidin-4-yl]-5-fluoro-3H-quinazolin-4-one
CID 135853234
5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 68688804
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
1-(4-chloro-2,6-dimethylphenyl)-5-[5-(2,4-difluorophenyl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-oxazol-4-yl]pyridin-2-one
CID 68691314

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 153382077) is 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is COCCN1CCC(c2nc3cnc(-c4cc(F)c5nc(C)oc5c4)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SYOKZVNFBYWQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-13-26-21-17(24)9-15(10-20(21)32-13)18-11-16-19(12-25-18)27-22(28-23(16)30)14-3-5-29(6-4-14)7-8-31-2/h9-12,14H,3-8H2,1-2H3,(H,27,28,30).
What are the key properties of 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 437.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 153382077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).