8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one

C17H17FN4O2 — CID 659206

IUPAC8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one
SMILESO=C1CCCN1CCCn1cnc2c([nH]c3ccc(F)cc32)c1=O
InChIInChI=1S/C17H17FN4O2/c18-11-4-5-13-12(9-11)15-16(20-13)17(24)22(10-19-15)8-2-7-21-6-1-3-14(21)23/h4-5,9-10,20H,1-3,6-8H2
InChIKeyWOEHUHJVEVXTNQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.03
Rot. Bonds4

About 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one

8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 659206) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one
PubChem CID659206
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one
SMILESO=C1CCCN1CCCn1cnc2c([nH]c3ccc(F)cc32)c1=O
InChIInChI=1S/C17H17FN4O2/c18-11-4-5-13-12(9-11)15-16(20-13)17(24)22(10-19-15)8-2-7-21-6-1-3-14(21)23/h4-5,9-10,20H,1-3,6-8H2
InChIKeyWOEHUHJVEVXTNQ-UHFFFAOYSA-N
XLogP2.03
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one (CID 659206) is 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one is O=C1CCCN1CCCn1cnc2c([nH]c3ccc(F)cc32)c1=O.
What is the InChIKey of 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is WOEHUHJVEVXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-11-4-5-13-12(9-11)15-16(20-13)17(24)22(10-19-15)8-2-7-21-6-1-3-14(21)23/h4-5,9-10,20H,1-3,6-8H2.
What are the key properties of 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one?
8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 328.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[3-(2-oxopyrrolidin-1-yl)propyl]-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 659206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).