2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide

C16H17FN4O2 — CID 53028087

IUPAC2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cnc2c([nH]c3ccc(F)cc32)c1=O
InChIInChI=1S/C16H17FN4O2/c1-9(2)6-18-13(22)7-21-8-19-14-11-5-10(17)3-4-12(11)20-15(14)16(21)23/h3-5,8-9,20H,6-7H2,1-2H3,(H,18,22)
InChIKeyQKKQAIYAMFODDS-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.79
Rot. Bonds4

About 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide

2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 53028087) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
PubChem CID53028087
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cnc2c([nH]c3ccc(F)cc32)c1=O
InChIInChI=1S/C16H17FN4O2/c1-9(2)6-18-13(22)7-21-8-19-14-11-5-10(17)3-4-12(11)20-15(14)16(21)23/h3-5,8-9,20H,6-7H2,1-2H3,(H,18,22)
InChIKeyQKKQAIYAMFODDS-UHFFFAOYSA-N
XLogP1.79
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
CID 53028070
3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylpropanamide
CID 18525589
2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide
CID 53028036
3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 18525606
N-(3,5-dimethylphenyl)-3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 18525593
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 53028084
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 30849331
8-fluoro-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyrimido[5,4-b]indol-4-one
CID 53028091
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7732058
2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53028102
2-(6-fluoro-4-oxoquinolin-1-yl)-N-(2-methylpropyl)acetamide
CID 100742567

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide (CID 53028087) is 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cnc2c([nH]c3ccc(F)cc32)c1=O.
What is the InChIKey of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is QKKQAIYAMFODDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-9(2)6-18-13(22)7-21-8-19-14-11-5-10(17)3-4-12(11)20-15(14)16(21)23/h3-5,8-9,20H,6-7H2,1-2H3,(H,18,22).
What are the key properties of 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide?
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53028087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).