N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

C24H23FN8O4 — CID 139269500

IUPACN-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCc1cc(CN2C(=O)C3C(N=CN3CC(=O)Nc3cccc(-c4cnc(C)c(F)c4)n3)N(C)C2=O)no1
InChIInChI=1S/C24H23FN8O4/c1-13-7-16(30-37-13)10-33-23(35)21-22(31(3)24(33)36)27-12-32(21)11-20(34)29-19-6-4-5-18(28-19)15-8-17(25)14(2)26-9-15/h4-9,12,21-22H,10-11H2,1-3H3,(H,28,29,34)
InChIKeyCLZFKVVNPIVEMN-UHFFFAOYSA-N
MW506.50 g/mol
LogP1.96
Rot. Bonds6

About N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide

N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (PubChem CID 139269500) has the molecular formula C24H23FN8O4 and a molecular weight of 506.50 g/mol. Its IUPAC name is N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
PubChem CID139269500
Molecular FormulaC24H23FN8O4
Molecular Weight506.50 g/mol
Exact Mass506.18
IUPAC NameN-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
SMILESCc1cc(CN2C(=O)C3C(N=CN3CC(=O)Nc3cccc(-c4cnc(C)c(F)c4)n3)N(C)C2=O)no1
InChIInChI=1S/C24H23FN8O4/c1-13-7-16(30-37-13)10-33-23(35)21-22(31(3)24(33)36)27-12-32(21)11-20(34)29-19-6-4-5-18(28-19)15-8-17(25)14(2)26-9-15/h4-9,12,21-22H,10-11H2,1-3H3,(H,28,29,34)
InChIKeyCLZFKVVNPIVEMN-UHFFFAOYSA-N
XLogP1.96
TPSA137.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide with MolForge

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Related Compounds

CID 58072811
CID 58072811
CID 139269400
CID 139269400
CID 139269402
CID 139269402
CID 139269405
CID 139269405
CID 139269411
CID 139269411
CID 139269412
CID 139269412
CID 139269416
CID 139269416
CID 139269515
CID 139269515
CID 58073075
CID 58073075
CID 68442601
CID 68442601
CID 68459402
CID 68459402
CID 68937596
CID 68937596

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The IUPAC name of N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide (CID 139269500) is N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide.
What is the SMILES notation for N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The canonical SMILES for N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is Cc1cc(CN2C(=O)C3C(N=CN3CC(=O)Nc3cccc(-c4cnc(C)c(F)c4)n3)N(C)C2=O)no1.
What is the InChIKey of N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
The InChIKey is CLZFKVVNPIVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O4/c1-13-7-16(30-37-13)10-33-23(35)21-22(31(3)24(33)36)27-12-32(21)11-20(34)29-19-6-4-5-18(28-19)15-8-17(25)14(2)26-9-15/h4-9,12,21-22H,10-11H2,1-3H3,(H,28,29,34).
What are the key properties of N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide?
N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide has a molecular weight of 506.50 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-6-methyl-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide is sourced from PubChem (CID 139269500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).