(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

C23H25FN4O2 — CID 71586633

IUPAC(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCN1CC[C@@]2(CC[C@H](c3cc(-c4cc(N5CCCC5=O)ccc4F)ccn3)N2)C1=O
InChIInChI=1S/C23H25FN4O2/c1-27-12-9-23(22(27)30)8-6-19(26-23)20-13-15(7-10-25-20)17-14-16(4-5-18(17)24)28-11-2-3-21(28)29/h4-5,7,10,13-14,19,26H,2-3,6,8-9,11-12H2,1H3/t19-,23+/m1/s1
InChIKeyVRTZZFGSLZZMKO-XXBNENTESA-N
MW408.48 g/mol
LogP3.04
Rot. Bonds3

About (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one

(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 71586633) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID71586633
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
SMILESCN1CC[C@@]2(CC[C@H](c3cc(-c4cc(N5CCCC5=O)ccc4F)ccn3)N2)C1=O
InChIInChI=1S/C23H25FN4O2/c1-27-12-9-23(22(27)30)8-6-19(26-23)20-13-15(7-10-25-20)17-14-16(4-5-18(17)24)28-11-2-3-21(28)29/h4-5,7,10,13-14,19,26H,2-3,6,8-9,11-12H2,1H3/t19-,23+/m1/s1
InChIKeyVRTZZFGSLZZMKO-XXBNENTESA-N
XLogP3.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one (CID 71586633) is (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is CN1CC[C@@]2(CC[C@H](c3cc(-c4cc(N5CCCC5=O)ccc4F)ccn3)N2)C1=O.
What is the InChIKey of (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is VRTZZFGSLZZMKO-XXBNENTESA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-12-9-23(22(27)30)8-6-19(26-23)20-13-15(7-10-25-20)17-14-16(4-5-18(17)24)28-11-2-3-21(28)29/h4-5,7,10,13-14,19,26H,2-3,6,8-9,11-12H2,1H3/t19-,23+/m1/s1.
What are the key properties of (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one?
(2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 408.48 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-[4-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-pyridinyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 71586633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).